benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate

C15H22N2O2 — CID 96555658

IUPACbenzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
SMILESCN(C[C@@H]1CCCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17(11-14-8-5-9-16-10-14)15(18)19-12-13-6-3-2-4-7-13/h2-4,6-7,14,16H,5,8-12H2,1H3/t14-/m1/s1
InChIKeyUMODLRUMOADCNC-CQSZACIVSA-N
MW262.35 g/mol
LogP2.25
Rot. Bonds4

About benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate

benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate (PubChem CID 96555658) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
PubChem CID96555658
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
SMILESCN(C[C@@H]1CCCNC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17(11-14-8-5-9-16-10-14)15(18)19-12-13-6-3-2-4-7-13/h2-4,6-7,14,16H,5,8-12H2,1H3/t14-/m1/s1
InChIKeyUMODLRUMOADCNC-CQSZACIVSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674
benzyl N-methyl-N-(oxan-4-ylmethyl)carbamate
CID 110752436
(4-nitrophenyl)methyl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
CID 11098355
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
benzyl N-[[(3R)-1-(2-chloroacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 96553929
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate (CID 96555658) is benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate is CN(C[C@@H]1CCCNC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate?
The InChIKey is UMODLRUMOADCNC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(11-14-8-5-9-16-10-14)15(18)19-12-13-6-3-2-4-7-13/h2-4,6-7,14,16H,5,8-12H2,1H3/t14-/m1/s1.
What are the key properties of benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate?
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 96555658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).