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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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068743
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114597377
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63067084
4-ethyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexane-1-carboxylic acid
CID 79935356
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 63620374
2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
CID 80995975
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116657829
2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996172

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).