(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride

C19H28Cl2N2O2 — CID 28267

IUPAC(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride
SMILESCc1cccc(Cl)c1NC(=O)OC1CCCCC1[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C19H27ClN2O2.ClH/c1-14-8-7-9-15(20)18(14)21-19(23)24-17-11-4-3-10-16(17)22-12-5-2-6-13-22;/h7-9,16-17H,2-6,10-13H2,1H3,(H,21,23);1H
InChIKeyQUOUSURMXFEXEI-UHFFFAOYSA-N
MW387.35 g/mol
LogP0.58
Rot. Bonds3

About (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride

(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride (PubChem CID 28267) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride.

Molecular Properties

Compound Name(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride
PubChem CID28267
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride
SMILESCc1cccc(Cl)c1NC(=O)OC1CCCCC1[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C19H27ClN2O2.ClH/c1-14-8-7-9-15(20)18(14)21-19(23)24-17-11-4-3-10-16(17)22-12-5-2-6-13-22;/h7-9,16-17H,2-6,10-13H2,1H3,(H,21,23);1H
InChIKeyQUOUSURMXFEXEI-UHFFFAOYSA-N
XLogP0.58
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
The IUPAC name of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride (CID 28267) is (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride.
What is the SMILES notation for (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
The canonical SMILES for (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride is Cc1cccc(Cl)c1NC(=O)OC1CCCCC1[NH+]1CCCCC1.[Cl-].
What is the InChIKey of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
The InChIKey is QUOUSURMXFEXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2.ClH/c1-14-8-7-9-15(20)18(14)21-19(23)24-17-11-4-3-10-16(17)22-12-5-2-6-13-22;/h7-9,16-17H,2-6,10-13H2,1H3,(H,21,23);1H.
What are the key properties of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride?
(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride has a molecular weight of 387.35 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chloro-6-methylphenyl)carbamate chloride is sourced from PubChem (CID 28267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).