4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C14H26N2O2 — CID 115151158

IUPAC4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCC(CO)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-16-8-6-13(7-9-16)15-14(18)12-4-2-11(10-17)3-5-12/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyOASYKHWBWPEGJT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.00
Rot. Bonds3

About 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide

4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 115151158) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID115151158
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCC(CO)CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-16-8-6-13(7-9-16)15-14(18)12-4-2-11(10-17)3-5-12/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyOASYKHWBWPEGJT-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 115151158) is 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide is CN1CCC(NC(=O)C2CCC(CO)CC2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is OASYKHWBWPEGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16-8-6-13(7-9-16)15-14(18)12-4-2-11(10-17)3-5-12/h11-13,17H,2-10H2,1H3,(H,15,18).
What are the key properties of 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115151158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).