2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid

C16H29NO2 — CID 63069621

IUPAC2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CCCC(C)C2)C1
InChIInChI=1S/C16H29NO2/c1-3-5-13-7-8-14(16(18)19)15(10-13)17-9-4-6-12(2)11-17/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyYJGLAABTQNHNHR-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid

2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63069621) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID63069621
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CCCC(C)C2)C1
InChIInChI=1S/C16H29NO2/c1-3-5-13-7-8-14(16(18)19)15(10-13)17-9-4-6-12(2)11-17/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyYJGLAABTQNHNHR-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid (CID 63069621) is 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N2CCCC(C)C2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is YJGLAABTQNHNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-5-13-7-8-14(16(18)19)15(10-13)17-9-4-6-12(2)11-17/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63069621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).