2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 43246110

IUPAC2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H23NO4/c16-9-10-5-7-15(8-6-10)13(17)11-3-1-2-4-12(11)14(18)19/h10-12,16H,1-9H2,(H,18,19)
InChIKeyAPDXNOABVNQLNQ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.11
Rot. Bonds3

About 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 43246110) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID43246110
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H23NO4/c16-9-10-5-7-15(8-6-10)13(17)11-3-1-2-4-12(11)14(18)19/h10-12,16H,1-9H2,(H,18,19)
InChIKeyAPDXNOABVNQLNQ-UHFFFAOYSA-N
XLogP1.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
cis-(1S,2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 94243487
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79759313
[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625074
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
trans-(1S,2S)-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124723311

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 43246110) is 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is APDXNOABVNQLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-9-10-5-7-15(8-6-10)13(17)11-3-1-2-4-12(11)14(18)19/h10-12,16H,1-9H2,(H,18,19).
What are the key properties of 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43246110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).