methyl 1-ethyl-4-oxopiperidine-3-carboxylate hydrochloride

methyl 1-ethyl-4-oxopiperidine-3-carboxylate hydrochloride

CAS: 24318-88-5

Formula: C9H16ClNO3

SMILES: Cl.CCN1CCC(=O)C(C1)C(=O)OC

IUPAC: methyl 1-ethyl-4-oxopiperidine-3-carboxylate hydrochloride

InChI: InChI=1/C9H15NO3.ClH/c1-3-10-5-4-8(11)7(6-10)9(12)13-2;/h7H,3-6H2,1-2H3;1H

Composition: C (48.76%), H (7.28%), Cl (15.99%), N (6.32%), O (21.65%)

Molar Mass: 221.68

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	221.0818711
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LLPWEDHIONCBTQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.27
Topological Polar Surface Area	46.61
Polarizability	18.98
Ring Count	1
Rotatable Bond Count	3

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