3-(piperazin-1-yl)propanoic acid

3-(piperazin-1-yl)propanoic acid

CAS: 27245-31-4

Formula: C7H14N2O2

SMILES: OC(=O)CCN1CCNCC1

IUPAC: 3-(piperazin-1-yl)propanoic acid

InChI: InChI=1S/C7H14N2O2/c10-7(11)1-4-9-5-2-8-3-6-9/h8H,1-6H2,(H,10,11)

Composition: C (53.15%), H (8.92%), N (17.71%), O (20.23%)

Molar Mass: 158.201

Atom Count: 25

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	158.105527699
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RSEHHYMPNZWTGQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.53
Topological Polar Surface Area	52.57
Polarizability	16.48
Ring Count	1
Rotatable Bond Count	3

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