1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride

C18H28ClNO2 — CID 67764311

IUPAC1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
SMILESCCCCCCN1CCC(C(=O)O)(c2ccccc2)CC1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-2-3-4-8-13-19-14-11-18(12-15-19,17(20)21)16-9-6-5-7-10-16;/h5-7,9-10H,2-4,8,11-15H2,1H3,(H,20,21);1H
InChIKeyPAMBGFPIHWBCRV-UHFFFAOYSA-N
MW325.88 g/mol
LogP4.11
Rot. Bonds7

About 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride

1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride (PubChem CID 67764311) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
PubChem CID67764311
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
SMILESCCCCCCN1CCC(C(=O)O)(c2ccccc2)CC1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-2-3-4-8-13-19-14-11-18(12-15-19,17(20)21)16-9-6-5-7-10-16;/h5-7,9-10H,2-4,8,11-15H2,1H3,(H,20,21);1H
InChIKeyPAMBGFPIHWBCRV-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride (CID 67764311) is 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride is CCCCCCN1CCC(C(=O)O)(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is PAMBGFPIHWBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-2-3-4-8-13-19-14-11-18(12-15-19,17(20)21)16-9-6-5-7-10-16;/h5-7,9-10H,2-4,8,11-15H2,1H3,(H,20,21);1H.
What are the key properties of 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride?
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67764311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).