4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride

C14H28ClN3O4 — CID 174574194

IUPAC4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride
SMILESCl.NC=O.NC=O.O=C(O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO2.2CH3NO.ClH/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;2*2-1-3;/h10,13H,1-9H2,(H,14,15);2*1H,(H2,2,3);1H
InChIKeyRGEZCZGFAUNVMI-UHFFFAOYSA-N
MW337.85 g/mol
LogP0.65
Rot. Bonds2

About 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride

4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride (PubChem CID 174574194) has the molecular formula C14H28ClN3O4 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride.

Molecular Properties

Compound Name4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride
PubChem CID174574194
Molecular FormulaC14H28ClN3O4
Molecular Weight337.85 g/mol
Exact Mass337.18
IUPAC Name4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride
SMILESCl.NC=O.NC=O.O=C(O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO2.2CH3NO.ClH/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;2*2-1-3;/h10,13H,1-9H2,(H,14,15);2*1H,(H2,2,3);1H
InChIKeyRGEZCZGFAUNVMI-UHFFFAOYSA-N
XLogP0.65
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride?
The IUPAC name of 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride (CID 174574194) is 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride.
What is the SMILES notation for 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride?
The canonical SMILES for 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride is Cl.NC=O.NC=O.O=C(O)C1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride?
The InChIKey is RGEZCZGFAUNVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.2CH3NO.ClH/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;2*2-1-3;/h10,13H,1-9H2,(H,14,15);2*1H,(H2,2,3);1H.
What are the key properties of 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride?
4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpiperidine-4-carboxylic acid;formamide;hydrochloride is sourced from PubChem (CID 174574194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).