[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate

C16H23ClN2O2 — CID 90971146

IUPAC[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCN(C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-18-16(20)21-13-8-10-19(11-9-13)12(2)14-6-4-5-7-15(14)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyBMWDWEXINNMASX-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.61
Rot. Bonds4

About [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate

[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate (PubChem CID 90971146) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate
PubChem CID90971146
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCN(C(C)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-18-16(20)21-13-8-10-19(11-9-13)12(2)14-6-4-5-7-15(14)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyBMWDWEXINNMASX-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 134010431
1-[1-(2-chlorophenyl)ethyl]-4-cyclopentyloxypiperidine
CID 86875750
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 55563553
[1-[(2-chlorophenyl)methyl]piperidin-4-yl] N-methylcarbamate
CID 91291495
1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 54965482
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 46571303
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 134043799
cyclopentyl N-ethylcarbamate
CID 54482890
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
3-[1-[1-(2-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81047875
2-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 134060036

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate?
The IUPAC name of [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate (CID 90971146) is [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate.
What is the SMILES notation for [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate?
The canonical SMILES for [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate is CCNC(=O)OC1CCN(C(C)c2ccccc2Cl)CC1.
What is the InChIKey of [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate?
The InChIKey is BMWDWEXINNMASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-18-16(20)21-13-8-10-19(11-9-13)12(2)14-6-4-5-7-15(14)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate?
[1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate has a molecular weight of 310.83 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-chlorophenyl)ethyl]piperidin-4-yl] N-ethylcarbamate is sourced from PubChem (CID 90971146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).