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

C19H29ClN2O2 — CID 29989

IUPAC(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride
SMILESCc1ccccc1NC(=O)OC1CCCCC1[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C19H28N2O2.ClH/c1-15-9-3-4-10-16(15)20-19(22)23-18-12-6-5-11-17(18)21-13-7-2-8-14-21;/h3-4,9-10,17-18H,2,5-8,11-14H2,1H3,(H,20,22);1H
InChIKeyDWDSFBUSICCNAD-UHFFFAOYSA-N
MW352.91 g/mol
LogP-0.07
Rot. Bonds3

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

(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride (PubChem CID 29989) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride.

Molecular Properties

Compound Name(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride
PubChem CID29989
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride
SMILESCc1ccccc1NC(=O)OC1CCCCC1[NH+]1CCCCC1.[Cl-]
InChIInChI=1S/C19H28N2O2.ClH/c1-15-9-3-4-10-16(15)20-19(22)23-18-12-6-5-11-17(18)21-13-7-2-8-14-21;/h3-4,9-10,17-18H,2,5-8,11-14H2,1H3,(H,20,22);1H
InChIKeyDWDSFBUSICCNAD-UHFFFAOYSA-N
XLogP-0.07
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 5-0.07
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-methylphenyl)carbamate chloride?
The IUPAC name of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride (CID 29989) is (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride.
What is the SMILES notation for (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride?
The canonical SMILES for (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride is Cc1ccccc1NC(=O)OC1CCCCC1[NH+]1CCCCC1.[Cl-].
What is the InChIKey of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride?
The InChIKey is DWDSFBUSICCNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-15-9-3-4-10-16(15)20-19(22)23-18-12-6-5-11-17(18)21-13-7-2-8-14-21;/h3-4,9-10,17-18H,2,5-8,11-14H2,1H3,(H,20,22);1H.
What are the key properties of (2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride?
(2-piperidin-1-ium-1-ylcyclohexyl) N-(2-methylphenyl)carbamate chloride has a molecular weight of 352.91 g/mol, XLogP of -0.07, 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-methylphenyl)carbamate chloride is sourced from PubChem (CID 29989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).