benzyl N-(2-phenylpiperidin-3-yl)carbamate

C19H22N2O2 — CID 21197254

IUPACbenzyl N-(2-phenylpiperidin-3-yl)carbamate
SMILESO=C(NC1CCCNC1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(23-14-15-8-3-1-4-9-15)21-17-12-7-13-20-18(17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14H2,(H,21,22)
InChIKeyXOUCHQGRBSRRES-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.41
Rot. Bonds4

About benzyl N-(2-phenylpiperidin-3-yl)carbamate

benzyl N-(2-phenylpiperidin-3-yl)carbamate (PubChem CID 21197254) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is benzyl N-(2-phenylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-phenylpiperidin-3-yl)carbamate
PubChem CID21197254
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namebenzyl N-(2-phenylpiperidin-3-yl)carbamate
SMILESO=C(NC1CCCNC1c1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c22-19(23-14-15-8-3-1-4-9-15)21-17-12-7-13-20-18(17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14H2,(H,21,22)
InChIKeyXOUCHQGRBSRRES-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
oxalic acid;2-phenyl-3-phenylmethoxypiperidine
CID 19379364
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-phenylpiperidin-3-yl)carbamate?
The IUPAC name of benzyl N-(2-phenylpiperidin-3-yl)carbamate (CID 21197254) is benzyl N-(2-phenylpiperidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2-phenylpiperidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(2-phenylpiperidin-3-yl)carbamate is O=C(NC1CCCNC1c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-phenylpiperidin-3-yl)carbamate?
The InChIKey is XOUCHQGRBSRRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(23-14-15-8-3-1-4-9-15)21-17-12-7-13-20-18(17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14H2,(H,21,22).
What are the key properties of benzyl N-(2-phenylpiperidin-3-yl)carbamate?
benzyl N-(2-phenylpiperidin-3-yl)carbamate has a molecular weight of 310.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-phenylpiperidin-3-yl)carbamate is sourced from PubChem (CID 21197254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).