4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine

C27H39N — CID 167257463

IUPAC4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
SMILESC=C(C)c1ccc(C2CCN(CC3=CC=C(CC(C)C)CC3)CC2)cc1CC
InChIInChI=1S/C27H39N/c1-6-24-18-26(11-12-27(24)21(4)5)25-13-15-28(16-14-25)19-23-9-7-22(8-10-23)17-20(2)3/h7,9,11-12,18,20,25H,4,6,8,10,13-17,19H2,1-3,5H3
InChIKeyJYYGTJIQLQAJQH-UHFFFAOYSA-N
MW377.62 g/mol
LogP7.15
Rot. Bonds7

About 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine

4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine (PubChem CID 167257463) has the molecular formula C27H39N and a molecular weight of 377.62 g/mol. Its IUPAC name is 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
PubChem CID167257463
Molecular FormulaC27H39N
Molecular Weight377.62 g/mol
Exact Mass377.31
IUPAC Name4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
SMILESC=C(C)c1ccc(C2CCN(CC3=CC=C(CC(C)C)CC3)CC2)cc1CC
InChIInChI=1S/C27H39N/c1-6-24-18-26(11-12-27(24)21(4)5)25-13-15-28(16-14-25)19-23-9-7-22(8-10-23)17-20(2)3/h7,9,11-12,18,20,25H,4,6,8,10,13-17,19H2,1-3,5H3
InChIKeyJYYGTJIQLQAJQH-UHFFFAOYSA-N
XLogP7.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.62
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-(3-ethyl-4-prop-1-en-2-ylphenyl)-2-methylpiperidine
CID 167258961
3-[2-[5-[1-[(4-cyclobutylphenyl)methyl]piperidin-4-yl]-2-prop-1-en-2-ylphenyl]ethyl]-2,2-dimethyl-6-methylidenepiperidine
CID 167257469
1-benzyl-4-(4-ethenyl-3-ethylphenyl)piperidine
CID 167257719
ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one
CID 167448079
4-(3-ethyl-4-methylphenyl)-1-methylpiperidine
CID 142332393
4-cyclopropyl-2-ethylphenol
CID 22039039
4-[1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]phenol
CID 60506197
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
N,2-dimethyl-N-[3-[1-[[4-(N-phenylanilino)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 20723045
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
CID 176934813
N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049346

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The IUPAC name of 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine (CID 167257463) is 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine.
What is the SMILES notation for 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The canonical SMILES for 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine is C=C(C)c1ccc(C2CCN(CC3=CC=C(CC(C)C)CC3)CC2)cc1CC.
What is the InChIKey of 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The InChIKey is JYYGTJIQLQAJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N/c1-6-24-18-26(11-12-27(24)21(4)5)25-13-15-28(16-14-25)19-23-9-7-22(8-10-23)17-20(2)3/h7,9,11-12,18,20,25H,4,6,8,10,13-17,19H2,1-3,5H3.
What are the key properties of 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine has a molecular weight of 377.62 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-prop-1-en-2-ylphenyl)-1-[[4-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine is sourced from PubChem (CID 167257463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).