5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid

5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid

CAS: 1245808-20-1

Formula: C13H19NO2S

SMILES: CC1CCCC(C)N1CC1=CC=C(S1)C(O)=O

IUPAC: 5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid

InChI: InChI=1/C13H19NO2S/c1-9-4-3-5-10(2)14(9)8-11-6-7-12(17-11)13(15)16/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)

Composition: C (61.63%), H (7.56%), N (5.53%), O (12.63%), S (12.65%)

Molar Mass: 253.36

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	253.11365003
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NBOHEBIKMZEMRV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.51
Topological Polar Surface Area	40.54
Polarizability	26.87
Ring Count	2
Rotatable Bond Count	3

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1245808-20-1		$65.00$65.00