1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane

C25H35N — CID 142132506

IUPAC1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane
SMILESC/C=C(\c1ccc(-c2cccc(CC)c2)cc1)N1CCCCC1.CCC
InChIInChI=1S/C22H27N.C3H8/c1-3-18-9-8-10-21(17-18)19-11-13-20(14-12-19)22(4-2)23-15-6-5-7-16-23;1-3-2/h4,8-14,17H,3,5-7,15-16H2,1-2H3;3H2,1-2H3/b22-4+;
InChIKeyLCVIEZVZPWVBCZ-POSJTTDCSA-N
MW349.56 g/mol
LogP7.18
Rot. Bonds4

About 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane

1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane (PubChem CID 142132506) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane.

Molecular Properties

Compound Name1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane
PubChem CID142132506
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane
SMILESC/C=C(\c1ccc(-c2cccc(CC)c2)cc1)N1CCCCC1.CCC
InChIInChI=1S/C22H27N.C3H8/c1-3-18-9-8-10-21(17-18)19-11-13-20(14-12-19)22(4-2)23-15-6-5-7-16-23;1-3-2/h4,8-14,17H,3,5-7,15-16H2,1-2H3;3H2,1-2H3/b22-4+;
InChIKeyLCVIEZVZPWVBCZ-POSJTTDCSA-N
XLogP7.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-phenylbenzene;propane
CID 145466525
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
4-(3-ethylphenyl)benzamide
CID 54454087
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
CID 142394585
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
1-buta-1,3-diynyl-4-(3-ethylphenyl)benzene
CID 139636229
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
1-[4-(3-ethylphenyl)phenyl]sulfanyl-3-methylbutan-2-ol
CID 143448995

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane?
The IUPAC name of 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane (CID 142132506) is 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane.
What is the SMILES notation for 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane?
The canonical SMILES for 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane is C/C=C(\c1ccc(-c2cccc(CC)c2)cc1)N1CCCCC1.CCC.
What is the InChIKey of 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane?
The InChIKey is LCVIEZVZPWVBCZ-POSJTTDCSA-N. The full InChI is InChI=1S/C22H27N.C3H8/c1-3-18-9-8-10-21(17-18)19-11-13-20(14-12-19)22(4-2)23-15-6-5-7-16-23;1-3-2/h4,8-14,17H,3,5-7,15-16H2,1-2H3;3H2,1-2H3/b22-4+;.
What are the key properties of 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane?
1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane has a molecular weight of 349.56 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane is sourced from PubChem (CID 142132506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).