(3S,4S)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol trihydrochloride

(3S,4S)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol trihydrochloride

CAS: 1262769-85-6

Formula: C9H22Cl3N3O

SMILES: Cl.Cl.Cl.CN1CCN(CC1)[C@H]1CNC[C@@H]1O

IUPAC: (3S,4S)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol trihydrochloride

InChI: InChI=1S/C9H19N3O.3ClH/c1-11-2-4-12(5-3-11)8-6-10-7-9(8)13;;;/h8-10,13H,2-7H2,1H3;3*1H/t8-,9-;;;/m0.../s1

Composition: C (36.69%), H (7.53%), Cl (36.09%), N (14.26%), O (5.43%)

Molar Mass: 294.65

Atom Count: 38

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	293.0828454
Formal Charge	0
FSP3	1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PQPUHXQVJKULHC-XSYCVHPISA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.43
Topological Polar Surface Area	38.74
Polarizability	21.05
Ring Count	2
Rotatable Bond Count	1

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95%	<4 Days	1262769-85-6		$215.05-$2,466.75$215.05$708.40$2,466.75