1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine

C24H31N — CID 167258961

IUPAC1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine
SMILESC=C(C)c1ccc(C2CCN(Cc3ccccc3)C(C)C2)cc1CC
InChIInChI=1S/C24H31N/c1-5-21-16-22(11-12-24(21)18(2)3)23-13-14-25(19(4)15-23)17-20-9-7-6-8-10-20/h6-12,16,19,23H,2,5,13-15,17H2,1,3-4H3
InChIKeyCRXKLGNDHKMWEC-UHFFFAOYSA-N
MW333.52 g/mol
LogP6.05
Rot. Bonds5

About 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine

1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine (PubChem CID 167258961) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine
PubChem CID167258961
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine
SMILESC=C(C)c1ccc(C2CCN(Cc3ccccc3)C(C)C2)cc1CC
InChIInChI=1S/C24H31N/c1-5-21-16-22(11-12-24(21)18(2)3)23-13-14-25(19(4)15-23)17-20-9-7-6-8-10-20/h6-12,16,19,23H,2,5,13-15,17H2,1,3-4H3
InChIKeyCRXKLGNDHKMWEC-UHFFFAOYSA-N
XLogP6.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[6-[(2S)-1-benzyl-2-methylpiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175911469
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011
4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
CID 167257463
1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine
CID 167257719
3-[6-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155660789
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
CID 22248253
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
CID 120646621
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
CID 124692107
2-[[3-[(1-benzyl-2-methylpiperidin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042697
(1-benzyl-2-methylpiperidin-4-yl)cyanamide
CID 130964411
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
N-[[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62430351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine?
The IUPAC name of 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine (CID 167258961) is 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine.
What is the SMILES notation for 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine?
The canonical SMILES for 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine is C=C(C)c1ccc(C2CCN(Cc3ccccc3)C(C)C2)cc1CC.
What is the InChIKey of 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine?
The InChIKey is CRXKLGNDHKMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N/c1-5-21-16-22(11-12-24(21)18(2)3)23-13-14-25(19(4)15-23)17-20-9-7-6-8-10-20/h6-12,16,19,23H,2,5,13-15,17H2,1,3-4H3.
What are the key properties of 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine?
1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine has a molecular weight of 333.52 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine is sourced from PubChem (CID 167258961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).