1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid

C14H25NO3 — CID 107072062

IUPAC1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C2CCCCCC2O)C1C(=O)O
InChIInChI=1S/C14H25NO3/c1-10-6-5-9-15(13(10)14(17)18)11-7-3-2-4-8-12(11)16/h10-13,16H,2-9H2,1H3,(H,17,18)
InChIKeyBICCVAGPRNRVDG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.87
Rot. Bonds2

About 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid

1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072062) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107072062
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C2CCCCCC2O)C1C(=O)O
InChIInChI=1S/C14H25NO3/c1-10-6-5-9-15(13(10)14(17)18)11-7-3-2-4-8-12(11)16/h10-13,16H,2-9H2,1H3,(H,17,18)
InChIKeyBICCVAGPRNRVDG-UHFFFAOYSA-N
XLogP1.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
1-(2-hydroxycyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372128
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786918
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
trans-(1S,2S)-2-(2,3-dimethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 130892790
methyl (2R)-1-(2-hydroxycycloheptyl)piperidine-2-carboxylate
CID 115537818
2-methylcyclooctane-1-carboxylic acid
CID 21039885
1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
CID 107072534
(1S,2R,8R,8aR)-1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid
CID 59125271
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid (CID 107072062) is 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C2CCCCCC2O)C1C(=O)O.
What is the InChIKey of 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is BICCVAGPRNRVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-6-5-9-15(13(10)14(17)18)11-7-3-2-4-8-12(11)16/h10-13,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid?
1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycycloheptyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).