1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine

C34H43N — CID 157383526

IUPAC1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine
SMILESC=C(Cc1cccc(-c2ccc(C(=C)N3CCC(C(=C)C4(C)CC4)CC3)cc2)c1)C1CCCCC1
InChIInChI=1S/C34H43N/c1-25(29-10-6-5-7-11-29)23-28-9-8-12-33(24-28)32-15-13-31(14-16-32)27(3)35-21-17-30(18-22-35)26(2)34(4)19-20-34/h8-9,12-16,24,29-30H,1-3,5-7,10-11,17-23H2,4H3
InChIKeyBLDWYDCQFNSLSQ-UHFFFAOYSA-N
MW465.73 g/mol
LogP9.07
Rot. Bonds8

About 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine

1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine (PubChem CID 157383526) has the molecular formula C34H43N and a molecular weight of 465.73 g/mol. Its IUPAC name is 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine.

Molecular Properties

Compound Name1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine
PubChem CID157383526
Molecular FormulaC34H43N
Molecular Weight465.73 g/mol
Exact Mass465.34
IUPAC Name1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine
SMILESC=C(Cc1cccc(-c2ccc(C(=C)N3CCC(C(=C)C4(C)CC4)CC3)cc2)c1)C1CCCCC1
InChIInChI=1S/C34H43N/c1-25(29-10-6-5-7-11-29)23-28-9-8-12-33(24-28)32-15-13-31(14-16-32)27(3)35-21-17-30(18-22-35)26(2)34(4)19-20-34/h8-9,12-16,24,29-30H,1-3,5-7,10-11,17-23H2,4H3
InChIKeyBLDWYDCQFNSLSQ-UHFFFAOYSA-N
XLogP9.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.73
LogP ≤ 59.07
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

[4-[3-(2-cyclopropylprop-2-enyl)phenyl]-2-methylphenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157181660
[4-[3-[2-(cyclopropylmethyl)prop-2-enyl]phenyl]phenyl]-[4-(1-methylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 157352591
1-[(E)-1-[4-(3-ethylphenyl)phenyl]prop-1-enyl]piperidine;propane
CID 142132506
3-[3-(2,2-dimethylbut-3-enyl)phenyl]-1-[1-(4-phenylphenyl)ethenyl]piperidine
CID 175623567
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
CID 161221422
1-[4-(1-piperidin-1-ylethenyl)phenyl]ethanone
CID 176661503
2-[3-(4-acetylphenyl)phenyl]acetate
CID 22930376
1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one
CID 158027048
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-[[(2R)-oxan-2-yl]methyl]-4-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 126425605

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine?
The IUPAC name of 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine (CID 157383526) is 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine.
What is the SMILES notation for 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine?
The canonical SMILES for 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine is C=C(Cc1cccc(-c2ccc(C(=C)N3CCC(C(=C)C4(C)CC4)CC3)cc2)c1)C1CCCCC1.
What is the InChIKey of 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine?
The InChIKey is BLDWYDCQFNSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N/c1-25(29-10-6-5-7-11-29)23-28-9-8-12-33(24-28)32-15-13-31(14-16-32)27(3)35-21-17-30(18-22-35)26(2)34(4)19-20-34/h8-9,12-16,24,29-30H,1-3,5-7,10-11,17-23H2,4H3.
What are the key properties of 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine?
1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine has a molecular weight of 465.73 g/mol, XLogP of 9.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[3-(2-cyclohexylprop-2-enyl)phenyl]phenyl]ethenyl]-4-[1-(1-methylcyclopropyl)ethenyl]piperidine is sourced from PubChem (CID 157383526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).