4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine

C28H37N — CID 178044115

IUPAC4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine
SMILESC=CC(c1ccc(CC(=C)CC)cc1)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H37N/c1-5-22(3)20-25-12-14-27(15-13-25)28(6-2)23(4)29-18-16-26(17-19-29)21-24-10-8-7-9-11-24/h6-15,23,26,28H,2-3,5,16-21H2,1,4H3
InChIKeyYGVMGKCUEFMTBL-UHFFFAOYSA-N
MW387.61 g/mol
LogP6.81
Rot. Bonds9

About 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine

4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine (PubChem CID 178044115) has the molecular formula C28H37N and a molecular weight of 387.61 g/mol. Its IUPAC name is 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine
PubChem CID178044115
Molecular FormulaC28H37N
Molecular Weight387.61 g/mol
Exact Mass387.29
IUPAC Name4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine
SMILESC=CC(c1ccc(CC(=C)CC)cc1)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H37N/c1-5-22(3)20-25-12-14-27(15-13-25)28(6-2)23(4)29-18-16-26(17-19-29)21-24-10-8-7-9-11-24/h6-15,23,26,28H,2-3,5,16-21H2,1,4H3
InChIKeyYGVMGKCUEFMTBL-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine 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

4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
2-methylidenebutylbenzene
CID 10964655
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
3-(4-benzylpiperidin-1-yl)-N,2-dimethylbutan-1-amine
CID 79415056
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 159181965
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
[2-(4-benzylpiperidin-1-yl)-1-(4-trimethylsilyloxyphenyl)propoxy]-trimethylsilane
CID 91733227
(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258806

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine?
The IUPAC name of 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine (CID 178044115) is 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine.
What is the SMILES notation for 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine?
The canonical SMILES for 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine is C=CC(c1ccc(CC(=C)CC)cc1)C(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine?
The InChIKey is YGVMGKCUEFMTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N/c1-5-22(3)20-25-12-14-27(15-13-25)28(6-2)23(4)29-18-16-26(17-19-29)21-24-10-8-7-9-11-24/h6-15,23,26,28H,2-3,5,16-21H2,1,4H3.
What are the key properties of 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine?
4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine has a molecular weight of 387.61 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-[4-(2-methylidenebutyl)phenyl]pent-4-en-2-yl]piperidine is sourced from PubChem (CID 178044115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).