3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine

C31H35N — CID 175623567

IUPAC3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine
SMILESC=CC(C)(C)Cc1cccc(C2CCCN(C(=C)c3ccc(-c4ccccc4)cc3)C2)c1
InChIInChI=1S/C31H35N/c1-5-31(3,4)22-25-11-9-14-29(21-25)30-15-10-20-32(23-30)24(2)26-16-18-28(19-17-26)27-12-7-6-8-13-27/h5-9,11-14,16-19,21,30H,1-2,10,15,20,22-23H2,3-4H3
InChIKeyUKMYEPUJKYFSTO-UHFFFAOYSA-N
MW421.63 g/mol
LogP7.96
Rot. Bonds7

About 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine

3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine (PubChem CID 175623567) has the molecular formula C31H35N and a molecular weight of 421.63 g/mol. Its IUPAC name is 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine.

Molecular Properties

Compound Name3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine
PubChem CID175623567
Molecular FormulaC31H35N
Molecular Weight421.63 g/mol
Exact Mass421.28
IUPAC Name3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine
SMILESC=CC(C)(C)Cc1cccc(C2CCCN(C(=C)c3ccc(-c4ccccc4)cc3)C2)c1
InChIInChI=1S/C31H35N/c1-5-31(3,4)22-25-11-9-14-29(21-25)30-15-10-20-32(23-30)24(2)26-16-18-28(19-17-26)27-12-7-6-8-13-27/h5-9,11-14,16-19,21,30H,1-2,10,15,20,22-23H2,3-4H3
InChIKeyUKMYEPUJKYFSTO-UHFFFAOYSA-N
XLogP7.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.63
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[3-(3,4-difluorophenyl)phenyl]ethenyl]-3-[3-(2,2-dimethylbut-3-enyl)phenyl]piperidine
CID 175623536
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
3-(3-phenylphenyl)piperidine-1-carbonyl chloride
CID 139549078
1-[[3-(3,4-difluorophenyl)phenyl]methyl]-3-[3-(2,2-dimethyl-3-methylidenepentyl)phenyl]piperidine
CID 175623687
(3S)-3-methyl-1-(1-phenylethenyl)piperidine
CID 143536748
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
2-methyl-2-[3-[1-(3-phenylpropanoyl)piperidin-3-yl]phenoxy]propanoic acid
CID 11646898
2-methyl-2-[3-(1-phenylmethoxycarbonylpiperidin-3-yl)phenoxy]propanoic acid
CID 68883968
benzyl 3-(3-tert-butylphenyl)piperidine-1-carboxylate;2-chloroacetamide
CID 143107922
3-[(3S)-1-(2-oxo-2-pyrrolidin-1-ylacetyl)piperidin-3-yl]benzoic acid
CID 97210347
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
CID 72708672

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine?
The IUPAC name of 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine (CID 175623567) is 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine.
What is the SMILES notation for 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine?
The canonical SMILES for 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine is C=CC(C)(C)Cc1cccc(C2CCCN(C(=C)c3ccc(-c4ccccc4)cc3)C2)c1.
What is the InChIKey of 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine?
The InChIKey is UKMYEPUJKYFSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N/c1-5-31(3,4)22-25-11-9-14-29(21-25)30-15-10-20-32(23-30)24(2)26-16-18-28(19-17-26)27-12-7-6-8-13-27/h5-9,11-14,16-19,21,30H,1-2,10,15,20,22-23H2,3-4H3.
What are the key properties of 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine?
3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine has a molecular weight of 421.63 g/mol, XLogP of 7.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine is sourced from PubChem (CID 175623567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).