benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate

C15H22N2O2 — CID 130580965

IUPACbenzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
SMILESCN1CCCCC1CNC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17-10-6-5-9-14(17)11-16-15(18)19-12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)
InChIKeyBTWWUONFXCSKQS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.40
Rot. Bonds4

About benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate

benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate (PubChem CID 130580965) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
PubChem CID130580965
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namebenzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
SMILESCN1CCCCC1CNC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-17-10-6-5-9-14(17)11-16-15(18)19-12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18)
InChIKeyBTWWUONFXCSKQS-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]carbamate
CID 96553890
benzyl N-[[1-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 71648853
2-[(2R)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554064
2-[(2R)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]propanedioic acid
CID 68603488
diethyl 2-[2-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]propanedioate
CID 72533168
benzyl N-[[(2S)-1-(1-cyclohexylethyl)pyrrolidin-2-yl]methyl]carbamate
CID 59362143
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
CID 90115821
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate (CID 130580965) is benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate is CN1CCCCC1CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
The InChIKey is BTWWUONFXCSKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-10-6-5-9-14(17)11-16-15(18)19-12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,16,18).
What are the key properties of benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate?
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate is sourced from PubChem (CID 130580965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).