1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride

C26H36ClNO — CID 23039558

IUPAC1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2ccc(C(CCN3CCCCC3)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C26H35NO.ClH/c1-4-10-22(11-5-1)23-14-16-24(17-15-23)26(28-25-12-6-2-7-13-25)18-21-27-19-8-3-9-20-27;/h1,4-5,10-11,14-17,25-26H,2-3,6-9,12-13,18-21H2;1H
InChIKeyVOMLEIFQRYCDEA-UHFFFAOYSA-N
MW414.03 g/mol
LogP7.04
Rot. Bonds7

About 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride

1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride (PubChem CID 23039558) has the molecular formula C26H36ClNO and a molecular weight of 414.03 g/mol. Its IUPAC name is 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride
PubChem CID23039558
Molecular FormulaC26H36ClNO
Molecular Weight414.03 g/mol
Exact Mass413.25
IUPAC Name1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride
SMILESCl.c1ccc(-c2ccc(C(CCN3CCCCC3)OC3CCCCC3)cc2)cc1
InChIInChI=1S/C26H35NO.ClH/c1-4-10-22(11-5-1)23-14-16-24(17-15-23)26(28-25-12-6-2-7-13-25)18-21-27-19-8-3-9-20-27;/h1,4-5,10-11,14-17,25-26H,2-3,6-9,12-13,18-21H2;1H
InChIKeyVOMLEIFQRYCDEA-UHFFFAOYSA-N
XLogP7.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.03
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
3-cyclohexyloxy-3-phenylpropan-1-amine
CID 115002872
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
1-(6,6-diphenylhexyl)piperidine
CID 161365973
3-cyclopentyloxy-3-phenylpropan-1-amine
CID 115001323
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
CID 3056701
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate
CID 7211572
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride (CID 23039558) is 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride is Cl.c1ccc(-c2ccc(C(CCN3CCCCC3)OC3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride?
The InChIKey is VOMLEIFQRYCDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO.ClH/c1-4-10-22(11-5-1)23-14-16-24(17-15-23)26(28-25-12-6-2-7-13-25)18-21-27-19-8-3-9-20-27;/h1,4-5,10-11,14-17,25-26H,2-3,6-9,12-13,18-21H2;1H.
What are the key properties of 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride?
1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride has a molecular weight of 414.03 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclohexyloxy-3-(4-phenylphenyl)propyl]piperidine;hydrochloride is sourced from PubChem (CID 23039558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).