1-benzyl-4-ethylpiperidine-4-carboxylic acid

1-benzyl-4-ethylpiperidine-4-carboxylic acid

CAS: 1410937-95-9

Formula: C15H21NO2

SMILES: CCC1(CCN(CC2=CC=CC=C2)CC1)C(O)=O

IUPAC: 1-benzyl-4-ethylpiperidine-4-carboxylic acid

InChI: InChI=1S/C15H21NO2/c1-2-15(14(17)18)8-10-16(11-9-15)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,18)

Composition: C (72.84%), H (8.56%), N (5.66%), O (12.94%)

Molar Mass: 247.338

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.15722892
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UCMQTTZNVJQLRP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.08
Topological Polar Surface Area	40.54
Polarizability	28.21
Ring Count	2
Rotatable Bond Count	4

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