[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate

C17H26N2O2 — CID 10924256

IUPAC[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-3-19(4-2)17(20)21-16-10-8-9-15(13-16)14-18-11-6-5-7-12-18/h8-10,13H,3-7,11-12,14H2,1-2H3
InChIKeySUXRFUAXILMPBC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.51
Rot. Bonds5

About [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate

[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate (PubChem CID 10924256) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate
PubChem CID10924256
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-3-19(4-2)17(20)21-16-10-8-9-15(13-16)14-18-11-6-5-7-12-18/h8-10,13H,3-7,11-12,14H2,1-2H3
InChIKeySUXRFUAXILMPBC-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(pyrrolidin-1-ylmethyl)phenyl] 3-oxobutanoate
CID 67782221
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
CID 142864877
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
CID 56716664
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
[3-(pyrrolidin-1-ylmethyl)phenyl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70594500

Frequently Asked Questions

What is the IUPAC name of [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate?
The IUPAC name of [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate (CID 10924256) is [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc(CN2CCCCC2)c1.
What is the InChIKey of [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate?
The InChIKey is SUXRFUAXILMPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(4-2)17(20)21-16-10-8-9-15(13-16)14-18-11-6-5-7-12-18/h8-10,13H,3-7,11-12,14H2,1-2H3.
What are the key properties of [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate?
[3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate has a molecular weight of 290.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidin-1-ylmethyl)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 10924256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).