1-(4-tert-butylphenyl)piperidine-4-carboxylic acid

1-(4-tert-butylphenyl)piperidine-4-carboxylic acid

CAS: 847407-99-2

Formula: C16H23NO2

SMILES: CC(C)(C)C1=CC=C(C=C1)N1CCC(CC1)C(O)=O

IUPAC: 1-(4-tert-butylphenyl)piperidine-4-carboxylic acid

InChI: InChI=1S/C16H23NO2/c1-16(2,3)13-4-6-14(7-5-13)17-10-8-12(9-11-17)15(18)19/h4-7,12H,8-11H2,1-3H3,(H,18,19)

Composition: C (73.53%), H (8.87%), N (5.36%), O (12.24%)

Molar Mass: 261.365

Atom Count: 42

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.172878985
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BPXRLAOVWAYBPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.53
Topological Polar Surface Area	40.54
Polarizability	29.58
Ring Count	2
Rotatable Bond Count	3

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