1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine

C21H30BrN — CID 12805096

IUPAC1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine
SMILESC/C(=C\N1CCCCC1CC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C21H30BrN/c1-17(19-10-7-11-20(22)15-19)16-23-13-6-5-12-21(23)14-18-8-3-2-4-9-18/h7,10-11,15-16,18,21H,2-6,8-9,12-14H2,1H3/b17-16+
InChIKeyLKZNAUICPFILSU-WUKNDPDISA-N
MW376.38 g/mol
LogP6.63
Rot. Bonds4

About 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine

1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine (PubChem CID 12805096) has the molecular formula C21H30BrN and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine
PubChem CID12805096
Molecular FormulaC21H30BrN
Molecular Weight376.38 g/mol
Exact Mass375.16
IUPAC Name1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine
SMILESC/C(=C\N1CCCCC1CC1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C21H30BrN/c1-17(19-10-7-11-20(22)15-19)16-23-13-6-5-12-21(23)14-18-8-3-2-4-9-18/h7,10-11,15-16,18,21H,2-6,8-9,12-14H2,1H3/b17-16+
InChIKeyLKZNAUICPFILSU-WUKNDPDISA-N
XLogP6.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
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1-(3-bromophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62613958
(3-bromophenyl)-[2-(2-chloroethyl)piperidin-1-yl]methanone
CID 63393628
3-(3-bromophenyl)but-2-en-1-ol
CID 67536690
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
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CID 63119723
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
3-bromo-N-(2-cyclohexylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine (CID 12805096) is 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine is C/C(=C\N1CCCCC1CC1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine?
The InChIKey is LKZNAUICPFILSU-WUKNDPDISA-N. The full InChI is InChI=1S/C21H30BrN/c1-17(19-10-7-11-20(22)15-19)16-23-13-6-5-12-21(23)14-18-8-3-2-4-9-18/h7,10-11,15-16,18,21H,2-6,8-9,12-14H2,1H3/b17-16+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine?
1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine has a molecular weight of 376.38 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)prop-1-enyl]-2-(cyclohexylmethyl)piperidine is sourced from PubChem (CID 12805096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).