benzyl 3-formylpiperidine-1-carboxylate

benzyl 3-formylpiperidine-1-carboxylate

CAS: 201478-72-0

Formula: C14H17NO3

SMILES: O=CC1CCCN(C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-formylpiperidine-1-carboxylate

InChI: InChI=1/C14H17NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 247.294

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	247.120843411
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QKGTVOXHDCVOAW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.8
Topological Polar Surface Area	46.61
Polarizability	26.31
Ring Count	2
Rotatable Bond Count	4

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