[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate

C14H18Cl2N2O2 — CID 68653852

IUPAC[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C14H18Cl2N2O2/c1-17-13(19)20-9-14(5-2-6-18-8-14)10-3-4-11(15)12(16)7-10/h3-4,7,18H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyWBIYKWINQVNWLD-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.97
Rot. Bonds3

About [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate

[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate (PubChem CID 68653852) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate
PubChem CID68653852
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1(c2ccc(Cl)c(Cl)c2)CCCNC1
InChIInChI=1S/C14H18Cl2N2O2/c1-17-13(19)20-9-14(5-2-6-18-8-14)10-3-4-11(15)12(16)7-10/h3-4,7,18H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyWBIYKWINQVNWLD-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate?
The IUPAC name of [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate (CID 68653852) is [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate is CNC(=O)OCC1(c2ccc(Cl)c(Cl)c2)CCCNC1.
What is the InChIKey of [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate?
The InChIKey is WBIYKWINQVNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-17-13(19)20-9-14(5-2-6-18-8-14)10-3-4-11(15)12(16)7-10/h3-4,7,18H,2,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate?
[3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate has a molecular weight of 317.22 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)piperidin-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 68653852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).