[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate

C15H22N2O2 — CID 11043577

IUPAC[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccccc1CN1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-16(2)15(18)19-14-9-5-4-8-13(14)12-17-10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyKFKAWSGVKSTUDM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds3

About [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate

[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate (PubChem CID 11043577) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate
PubChem CID11043577
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccccc1CN1CCCCC1
InChIInChI=1S/C15H22N2O2/c1-16(2)15(18)19-14-9-5-4-8-13(14)12-17-10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyKFKAWSGVKSTUDM-UHFFFAOYSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] N,N-dimethylcarbamate
CID 11011729
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate
CID 10891589
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylcarbamic acid;cyclobutane
CID 68620346
1-[4-[[2-[(2S)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 97285514
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate (CID 11043577) is [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccccc1CN1CCCCC1.
What is the InChIKey of [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate?
The InChIKey is KFKAWSGVKSTUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16(2)15(18)19-14-9-5-4-8-13(14)12-17-10-6-3-7-11-17/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate?
[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate has a molecular weight of 262.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 11043577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).