benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate

C15H22N2O2 — CID 125117304

IUPACbenzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate
SMILESC[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)NC1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-14(16-9-12)10-17-15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)/t12-,14+/m0/s1
InChIKeyXLEVDWOUHGBDKF-GXTWGEPZSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds4

About benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate

benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate (PubChem CID 125117304) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate
PubChem CID125117304
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate
SMILESC[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)NC1
InChIInChI=1S/C15H22N2O2/c1-12-7-8-14(16-9-12)10-17-15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)/t12-,14+/m0/s1
InChIKeyXLEVDWOUHGBDKF-GXTWGEPZSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]carbamate
CID 70733572
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-(morpholin-3-ylmethyl)carbamate;hydrochloride
CID 137346986
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
CID 71102274
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
CID 154726666
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl N-[(1-fluoro-3-methylcyclobutyl)methyl]carbamate
CID 167714380

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate (CID 125117304) is benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate is C[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)NC1.
What is the InChIKey of benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate?
The InChIKey is XLEVDWOUHGBDKF-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-7-8-14(16-9-12)10-17-15(18)19-11-13-5-3-2-4-6-13/h2-6,12,14,16H,7-11H2,1H3,(H,17,18)/t12-,14+/m0/s1.
What are the key properties of benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate?
benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 125117304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).