4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine

C20H33N — CID 145429187

IUPAC4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(C2=CCCC=C2)CCN(C(C)C(C)CC)CC1
InChIInChI=1S/C20H33N/c1-6-17(4)18(5)21-14-12-20(13-15-21,16(2)3)19-10-8-7-9-11-19/h8,10-11,17-18H,2,6-7,9,12-15H2,1,3-5H3
InChIKeyWQRTXKPUMXFAGP-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds5

About 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine

4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine (PubChem CID 145429187) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine
PubChem CID145429187
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(C2=CCCC=C2)CCN(C(C)C(C)CC)CC1
InChIInChI=1S/C20H33N/c1-6-17(4)18(5)21-14-12-20(13-15-21,16(2)3)19-10-8-7-9-11-19/h8,10-11,17-18H,2,6-7,9,12-15H2,1,3-5H3
InChIKeyWQRTXKPUMXFAGP-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylpentan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 112751094
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765
1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
CID 143189862
3-[(1S)-1-(4-bromophenyl)ethyl]-5-cyclohexa-1,5-dien-1-yl-5-(2-methylprop-2-enyl)-1,3-oxazolidin-2-one
CID 88985262
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
2-(2-ethyl-3-methylbutyl)cyclohexa-1,3-diene
CID 145230170
1-cyclohexa-1,5-dien-1-ylcyclopropane-1-carbaldehyde
CID 91507539
2-cyclohexa-1,5-dien-1-yl-2-methyl-1,3-dioxolane
CID 163422201
1-(1-cyclohexa-1,5-dien-1-ylethenyl)-4-propylbenzene;2-methylprop-1-ene
CID 145339177
3-(cyclohexa-1,5-dien-1-ylmethyl)pentan-2-one;ethane
CID 178167995
N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
CID 143494911
2-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 145327169

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine (CID 145429187) is 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine is C=C(C)C1(C2=CCCC=C2)CCN(C(C)C(C)CC)CC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine?
The InChIKey is WQRTXKPUMXFAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-17(4)18(5)21-14-12-20(13-15-21,16(2)3)19-10-8-7-9-11-19/h8,10-11,17-18H,2,6-7,9,12-15H2,1,3-5H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine?
4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine has a molecular weight of 287.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-1-(3-methylpentan-2-yl)-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 145429187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).