1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine

C21H25N — CID 70921626

IUPAC1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
SMILESCC1CCN(CC=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N/c1-18-12-15-22(16-13-18)17-14-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,18H,12-13,15-17H2,1H3
InChIKeyPRNHRJPJWCZMQL-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.85
Rot. Bonds4

About 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine

1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine (PubChem CID 70921626) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
PubChem CID70921626
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine
SMILESCC1CCN(CC=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N/c1-18-12-15-22(16-13-18)17-14-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,18H,12-13,15-17H2,1H3
InChIKeyPRNHRJPJWCZMQL-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 3599580
(1S,6R)-3-[(E)-3-phenyl-3-(4-propoxyphenyl)prop-2-enyl]-3-azabicyclo[4.2.1]nonane
CID 92533841
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
2-methyl-4-(4-methylpiperidin-1-yl)but-2-enoic acid
CID 77074835
1-methyl-4-(3-phenylbut-2-enyl)piperazine
CID 76612314
2-ethyl-4-(4-methylpiperidin-1-yl)but-2-enoic acid
CID 77101855
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
benzoic acid;methylcyclopentane
CID 68907828
(E)-4-(4-methylpiperidin-1-yl)but-2-en-1-amine
CID 66047503
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine?
The IUPAC name of 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine (CID 70921626) is 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine.
What is the SMILES notation for 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine?
The canonical SMILES for 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine is CC1CCN(CC=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine?
The InChIKey is PRNHRJPJWCZMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-18-12-15-22(16-13-18)17-14-21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14,18H,12-13,15-17H2,1H3.
What are the key properties of 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine?
1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine has a molecular weight of 291.44 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylprop-2-enyl)-4-methylpiperidine is sourced from PubChem (CID 70921626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).