1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid

C15H27NO2 — CID 65087297

IUPAC1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid
SMILESCCC1CCCC(N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-2-12-6-5-7-13(10-9-12)16-11-4-3-8-14(16)15(17)18/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyJQDDUJLMTTURPM-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.28
Rot. Bonds3

About 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid

1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid (PubChem CID 65087297) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid
PubChem CID65087297
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid
SMILESCCC1CCCC(N2CCCCC2C(=O)O)CC1
InChIInChI=1S/C15H27NO2/c1-2-12-6-5-7-13(10-9-12)16-11-4-3-8-14(16)15(17)18/h12-14H,2-11H2,1H3,(H,17,18)
InChIKeyJQDDUJLMTTURPM-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-1-(4-ethylcyclohexyl)piperidine-2-carboxylate
CID 115537940
1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxylic acid;hydrochloride
CID 126796367
1-(4-propan-2-ylcycloheptyl)azepane-2-carboxylic acid
CID 65090849
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1-(4-ethylcyclohexyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77054607
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667
1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid (CID 65087297) is 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid is CCC1CCCC(N2CCCCC2C(=O)O)CC1.
What is the InChIKey of 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid?
The InChIKey is JQDDUJLMTTURPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-12-6-5-7-13(10-9-12)16-11-4-3-8-14(16)15(17)18/h12-14H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid?
1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcycloheptyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 65087297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).