[4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate

C17H26N2O3 — CID 66617245

IUPAC[4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CCC(CN)(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)21-15(20)22-19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3
InChIKeyQSZZPOMXXVVMNH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.85
Rot. Bonds3

About [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate

[4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate (PubChem CID 66617245) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate
PubChem CID66617245
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name[4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)ON1CCC(CN)(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)21-15(20)22-19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3
InChIKeyQSZZPOMXXVVMNH-UHFFFAOYSA-N
XLogP2.85
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-(aminomethyl)-4-(3-fluorophenyl)piperidine-1-carboxylate
CID 23601101
tert-Butyl 4-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 49760833
Tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 59321362
tert-Butyl 4-(aminomethyl)-4-(4-fluorobenzyl)piperidine-1-carboxylate
CID 69121570
Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
CID 10565452
tert-Butyl 4-(aminomethyl)-4-(2-fluorobenzyl)piperidine-1-carboxylate
CID 86276749
(4-Phenylpiperidin-4-ylmethyl)carbamic acid tert-butyl ester
CID 49760176
tert-Butyl ((4-(2-fluorophenyl)piperidin-4-yl)methyl)carbamate
CID 86276729
tert-Butyl ((4-(4-fluorophenyl)piperidin-4-yl)methyl)carbamate
CID 86276703
Tert-butyl n-[2-phenyl-2-(piperidin-4-yl)ethyl]carbamate
CID 138039882
Carbonic acid;(1-methyl-4-phenylpiperidin-4-yl)methanamine
CID 343884
Tert-butyl 4-(aminomethyl)-4-(2,5-difluorophenyl)piperidine-1-carboxylate
CID 23601103

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate?
The IUPAC name of [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate (CID 66617245) is [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate.
What is the SMILES notation for [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate?
The canonical SMILES for [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate is CC(C)(C)OC(=O)ON1CCC(CN)(c2ccccc2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate?
The InChIKey is QSZZPOMXXVVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-16(2,3)21-15(20)22-19-11-9-17(13-18,10-12-19)14-7-5-4-6-8-14/h4-8H,9-13,18H2,1-3H3.
What are the key properties of [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate?
[4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate has a molecular weight of 306.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-phenylpiperidin-1-yl] tert-butyl carbonate is sourced from PubChem (CID 66617245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).