(1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

C15H21ClN2O2 — CID 30376

IUPAC(1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCc1cccc(Cl)c1NC(=O)OCC1CCCN(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-11-5-3-7-13(16)14(11)17-15(19)20-10-12-6-4-8-18(2)9-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,17,19)
InChIKeyFNYBVUDJEVSBRT-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.54
Rot. Bonds3

About (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate

(1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (PubChem CID 30376) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
PubChem CID30376
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate
SMILESCc1cccc(Cl)c1NC(=O)OCC1CCCN(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-11-5-3-7-13(16)14(11)17-15(19)20-10-12-6-4-8-18(2)9-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,17,19)
InChIKeyFNYBVUDJEVSBRT-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The IUPAC name of (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate (CID 30376) is (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate.
What is the SMILES notation for (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The canonical SMILES for (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate is Cc1cccc(Cl)c1NC(=O)OCC1CCCN(C)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
The InChIKey is FNYBVUDJEVSBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-5-3-7-13(16)14(11)17-15(19)20-10-12-6-4-8-18(2)9-12/h3,5,7,12H,4,6,8-10H2,1-2H3,(H,17,19).
What are the key properties of (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate?
(1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate has a molecular weight of 296.80 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)methyl N-(2-chloro-6-methylphenyl)carbamate is sourced from PubChem (CID 30376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).