4-(piperidin-1-ylmethyl)benzoic acid hydrate

4-(piperidin-1-ylmethyl)benzoic acid hydrate

CAS: 1184978-48-0

Formula: C13H19NO3

SMILES: O.OC(=O)C1=CC=C(CN2CCCCC2)C=C1

IUPAC: 4-[(piperidin-1-yl)methyl]benzoic acid hydrate

InChI: InChI=1S/C13H17NO2.H2O/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-10H2,(H,15,16);1H2

Composition: C (65.80%), H (8.07%), N (5.90%), O (20.23%)

Molar Mass: 237.299

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.136493476
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SMFLWNMZJWPIBV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64
Topological Polar Surface Area	40.54
Polarizability	24.49
Ring Count	2
Rotatable Bond Count	3

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	1184978-48-0		$28.75-$815.35$28.75$93.15$232.30$465.75$748.65$815.35