4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride

C12H22ClNO2 — CID 69300951

IUPAC4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H21NO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h10-11H,1-9H2,(H,14,15);1H
InChIKeyVQNPTXISKKKBJX-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.54
Rot. Bonds2

About 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride

4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 69300951) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID69300951
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC Name4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H21NO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h10-11H,1-9H2,(H,14,15);1H
InChIKeyVQNPTXISKKKBJX-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-cyclopropylpiperidine
CID 10909573
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
CID 51063823
4-(2-azaspiro[3.6]decan-2-yl)cyclohexane-1-carboxylic acid
CID 79694926
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
CID 65056040
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
2-hydroxy-5-piperidin-1-ylcyclohexane-1-carboxylic acid
CID 71603394

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride (CID 69300951) is 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is VQNPTXISKKKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h10-11H,1-9H2,(H,14,15);1H.
What are the key properties of 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride?
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 247.77 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 69300951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).