1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine

C16H27N — CID 142939597

IUPAC1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C=C)CC1CCN(CCCC)CC1
InChIInChI=1S/C16H27N/c1-4-7-11-17-12-9-16(10-13-17)14-15(6-3)8-5-2/h5-6,8,16H,2-4,7,9-14H2,1H3/b15-8+
InChIKeyKTJAOFYSDFTHQJ-OVCLIPMQSA-N
MW233.40 g/mol
LogP4.19
Rot. Bonds7

About 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine

1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine (PubChem CID 142939597) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine.

Molecular Properties

Compound Name1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine
PubChem CID142939597
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C=C)CC1CCN(CCCC)CC1
InChIInChI=1S/C16H27N/c1-4-7-11-17-12-9-16(10-13-17)14-15(6-3)8-5-2/h5-6,8,16H,2-4,7,9-14H2,1H3/b15-8+
InChIKeyKTJAOFYSDFTHQJ-OVCLIPMQSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14525584
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CID 16189254
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280
Cambridge id 5410985
CID 28239625
1-(3,7-Dimethyl-6-octen-1-yl)-4-methylpiperazine
CID 2845214
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68536267
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CID 69120546

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine?
The IUPAC name of 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine (CID 142939597) is 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine.
What is the SMILES notation for 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine?
The canonical SMILES for 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine is C=C/C=C(\C=C)CC1CCN(CCCC)CC1.
What is the InChIKey of 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine?
The InChIKey is KTJAOFYSDFTHQJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C16H27N/c1-4-7-11-17-12-9-16(10-13-17)14-15(6-3)8-5-2/h5-6,8,16H,2-4,7,9-14H2,1H3/b15-8+.
What are the key properties of 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine?
1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine has a molecular weight of 233.40 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(2Z)-2-ethenylpenta-2,4-dienyl]piperidine is sourced from PubChem (CID 142939597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).