tert-butyl N-({1-[3-(hydroxymethyl)phenyl]piperidin-3-yl}methyl)carbamate

tert-butyl N-({1-[3-(hydroxymethyl)phenyl]piperidin-3-yl}methyl)carbamate

CAS: 1260843-48-8

Formula: C18H28N2O3

SMILES: CC(C)(C)OC(=O)NCC1CCCN(C1)C1=CC(CO)=CC=C1

IUPAC: tert-butyl N-({1-[3-(hydroxymethyl)phenyl]piperidin-3-yl}methyl)carbamate

InChI: InChI=1/C18H28N2O3/c1-18(2,3)23-17(22)19-11-15-7-5-9-20(12-15)16-8-4-6-14(10-16)13-21/h4,6,8,10,15,21H,5,7,9,11-13H2,1-3H3,(H,19,22)

Composition: C (67.47%), H (8.81%), N (8.74%), O (14.98%)

Molar Mass: 320.433

Atom Count: 51

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	320.20999277
Formal Charge	0
FSP3	0.61
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KNXYWIFQDNFFPU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.28
Topological Polar Surface Area	61.8
Polarizability	35.35
Ring Count	2
Rotatable Bond Count	6

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