benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate

C14H20N2O2 — CID 97357162

IUPACbenzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CCNC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-7-8-15-9-13(11)16-14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyWXHXHVNLQCUVFW-DGCLKSJQSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds3

About benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate

benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate (PubChem CID 97357162) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
PubChem CID97357162
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CCNC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-7-8-15-9-13(11)16-14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)/t11-,13-/m1/s1
InChIKeyWXHXHVNLQCUVFW-DGCLKSJQSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458
benzyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
CID 91757646
benzyl N-[(4R)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
CID 70324406
benzyl N-[(1R,5R,6S)-3-azabicyclo[4.2.0]octan-5-yl]carbamate
CID 164556146
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
CID 174789732
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate (CID 97357162) is benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate is C[C@@H]1CCNC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate?
The InChIKey is WXHXHVNLQCUVFW-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-8-15-9-13(11)16-14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3,(H,16,17)/t11-,13-/m1/s1.
What are the key properties of benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate?
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 97357162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).