1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine

C22H27N — CID 167257719

IUPAC1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine
SMILESC=Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1CC
InChIInChI=1S/C22H27N/c1-3-19-10-11-22(16-20(19)4-2)21-12-14-23(15-13-21)17-18-8-6-5-7-9-18/h3,5-11,16,21H,1,4,12-15,17H2,2H3
InChIKeyMUFKTNDERBMGDR-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.27
Rot. Bonds5

About 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine

1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine (PubChem CID 167257719) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine
PubChem CID167257719
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine
SMILESC=Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1CC
InChIInChI=1S/C22H27N/c1-3-19-10-11-22(16-20(19)4-2)21-12-14-23(15-13-21)17-18-8-6-5-7-9-18/h3,5-11,16,21H,1,4,12-15,17H2,2H3
InChIKeyMUFKTNDERBMGDR-UHFFFAOYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
1-benzyl-4-(2-propylphenyl)piperidine
CID 143140323
2-N-ethenyl-5-N-[[2-ethenyl-5-[1-[(3-fluoro-5-methylphenyl)methyl]piperidin-4-yl]phenyl]methyl]-5-N-methylhex-1-ene-2,5-diamine
CID 167257666
5-[[4-[4-ethenyl-3-[[methyl(6-oxohex-1-en-3-yl)amino]methyl]phenyl]piperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 167257706
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 20723045
1-benzyl-4-(2,5-dimethylphenyl)piperidine
CID 130137270
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine?
The IUPAC name of 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine (CID 167257719) is 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine?
The canonical SMILES for 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine is C=Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1CC.
What is the InChIKey of 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine?
The InChIKey is MUFKTNDERBMGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-3-19-10-11-22(16-20(19)4-2)21-12-14-23(15-13-21)17-18-8-6-5-7-9-18/h3,5-11,16,21H,1,4,12-15,17H2,2H3.
What are the key properties of 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine?
1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine has a molecular weight of 305.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine is sourced from PubChem (CID 167257719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).