4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroaniline

4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroaniline

CAS: 943752-32-7

Formula: C12H18FN3

SMILES: C[C@H]1CN(C[C@@H](C)N1)C1=CC=C(N)C=C1F

IUPAC: 4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroaniline

InChI: InChI=1S/C12H18FN3/c1-8-6-16(7-9(2)15-8)12-4-3-10(14)5-11(12)13/h3-5,8-9,15H,6-7,14H2,1-2H3/t8-,9+

Composition: C (64.55%), H (8.13%), F (8.51%), N (18.82%)

Molar Mass: 223.295

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	223.148475755
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FKXNCZPJTRPOGY-DTORHVGOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65
Topological Polar Surface Area	41.29
Polarizability	24.11
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	943752-32-7		$98.33-$2,359.80$98.33$161.46$264.96$486.45$788.67$1,264.77$2,359.80