diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol

C27H29NO — CID 70426387

IUPACdiphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol
SMILESC=CCc1ccccc1N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29NO/c1-2-11-22-12-9-10-17-26(22)28-20-18-25(19-21-28)27(29,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h2-10,12-17,25,29H,1,11,18-21H2
InChIKeyMZBPNSWNAJXUCG-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.57
Rot. Bonds6

About diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol

diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol (PubChem CID 70426387) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Namediphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol
PubChem CID70426387
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Namediphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol
SMILESC=CCc1ccccc1N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H29NO/c1-2-11-22-12-9-10-17-26(22)28-20-18-25(19-21-28)27(29,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h2-10,12-17,25,29H,1,11,18-21H2
InChIKeyMZBPNSWNAJXUCG-UHFFFAOYSA-N
XLogP5.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-phenyl-(1-prop-2-enylpiperidin-4-yl)methanol;thionyl dichloride
CID 91476293
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
CID 118322614
diphenyl-(1-prop-2-enylpiperidin-4-yl)methanol;ethyl 1-prop-2-enylpiperidine-4-carboxylate
CID 160793236
1,1-diphenyl-2,2-bis(2-prop-2-enylphenyl)ethane-1,2-diol
CID 67858306
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065
4-[hydroxy(diphenyl)methyl]piperidine-1-sulfonyl fluoride
CID 130224151
3-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 118717670
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol?
The IUPAC name of diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol (CID 70426387) is diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol?
The canonical SMILES for diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol is C=CCc1ccccc1N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol?
The InChIKey is MZBPNSWNAJXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-2-11-22-12-9-10-17-26(22)28-20-18-25(19-21-28)27(29,23-13-5-3-6-14-23)24-15-7-4-8-16-24/h2-10,12-17,25,29H,1,11,18-21H2.
What are the key properties of diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol?
diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol has a molecular weight of 383.54 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-(2-prop-2-enylphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 70426387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).