(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride

C18H26Cl2N2O2 — CID 28271

IUPAC(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride
SMILESO=C(Nc1ccccc1Cl)OC1CCCCC1[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C18H25ClN2O2.ClH/c19-14-8-2-3-9-15(14)20-18(22)23-17-11-5-4-10-16(17)21-12-6-1-7-13-21;/h2-3,8-9,16-17H,1,4-7,10-13H2,(H,20,22);1H
InChIKeyNEOYGHHVSMRCCX-UHFFFAOYSA-N
MW373.32 g/mol
LogP0.27
Rot. Bonds3

About (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride

(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride (PubChem CID 28271) has the molecular formula C18H26Cl2N2O2 and a molecular weight of 373.32 g/mol. Its IUPAC name is (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride.

Molecular Properties

Compound Name(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride
PubChem CID28271
Molecular FormulaC18H26Cl2N2O2
Molecular Weight373.32 g/mol
Exact Mass372.14
IUPAC Name(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride
SMILESO=C(Nc1ccccc1Cl)OC1CCCCC1[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C18H25ClN2O2.ClH/c19-14-8-2-3-9-15(14)20-18(22)23-17-11-5-4-10-16(17)21-12-6-1-7-13-21;/h2-3,8-9,16-17H,1,4-7,10-13H2,(H,20,22);1H
InChIKeyNEOYGHHVSMRCCX-UHFFFAOYSA-N
XLogP0.27
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 50.27
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-chlorophenyl)carbamate chloride?
The IUPAC name of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride (CID 28271) is (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride.
What is the SMILES notation for (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride?
The canonical SMILES for (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride is O=C(Nc1ccccc1Cl)OC1CCCCC1[NH+]1CCCCC1.[Cl-].
What is the InChIKey of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride?
The InChIKey is NEOYGHHVSMRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2.ClH/c19-14-8-2-3-9-15(14)20-18(22)23-17-11-5-4-10-16(17)21-12-6-1-7-13-21;/h2-3,8-9,16-17H,1,4-7,10-13H2,(H,20,22);1H.
What are the key properties of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride?
(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-chlorophenyl)carbamate chloride has a molecular weight of 373.32 g/mol, XLogP of 0.27, 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-chlorophenyl)carbamate chloride is sourced from PubChem (CID 28271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).