6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride

C29H40ClNO2 — CID 45264328

IUPAC6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C29H39NO2.ClH/c31-28(29(19-9-10-20-29)27-15-7-4-8-16-27)32-24-12-2-1-11-21-30-22-17-26(18-23-30)25-13-5-3-6-14-25;/h3-8,13-16,26H,1-2,9-12,17-24H2;1H
InChIKeyTYMCCPMQMQLWNH-UHFFFAOYSA-N
MW470.10 g/mol
LogP6.90
Rot. Bonds10

About 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride

6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (PubChem CID 45264328) has the molecular formula C29H40ClNO2 and a molecular weight of 470.10 g/mol. Its IUPAC name is 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
PubChem CID45264328
Molecular FormulaC29H40ClNO2
Molecular Weight470.10 g/mol
Exact Mass469.27
IUPAC Name6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C29H39NO2.ClH/c31-28(29(19-9-10-20-29)27-15-7-4-8-16-27)32-24-12-2-1-11-21-30-22-17-26(18-23-30)25-13-5-3-6-14-25;/h3-8,13-16,26H,1-2,9-12,17-24H2;1H
InChIKeyTYMCCPMQMQLWNH-UHFFFAOYSA-N
XLogP6.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.10
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride
CID 139786241
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
CID 20511851
2-cyanoethyl 1-(3-aminopropyl)-4-phenylpiperidine-4-carboxylate
CID 10591445
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454525
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate
CID 7211572
1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine
CID 57233729
ethyl 4-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]piperazine-1-carboxylate;dihydrochloride
CID 139786162

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (CID 45264328) is 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride is Cl.O=C(OCCCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The InChIKey is TYMCCPMQMQLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39NO2.ClH/c31-28(29(19-9-10-20-29)27-15-7-4-8-16-27)32-24-12-2-1-11-21-30-22-17-26(18-23-30)25-13-5-3-6-14-25;/h3-8,13-16,26H,1-2,9-12,17-24H2;1H.
What are the key properties of 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride has a molecular weight of 470.10 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperidin-1-yl)hexyl 1-phenylcyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45264328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).