1-buta-1,3-dien-2-yl-3-pentylpiperidine

C14H25N — CID 135219142

IUPAC1-buta-1,3-dien-2-yl-3-pentylpiperidine
SMILESC=CC(=C)N1CCCC(CCCCC)C1
InChIInChI=1S/C14H25N/c1-4-6-7-9-14-10-8-11-15(12-14)13(3)5-2/h5,14H,2-4,6-12H2,1H3
InChIKeyQDRRMSZWHYYVNZ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.98
Rot. Bonds6

About 1-buta-1,3-dien-2-yl-3-pentylpiperidine

1-buta-1,3-dien-2-yl-3-pentylpiperidine (PubChem CID 135219142) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-3-pentylpiperidine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-3-pentylpiperidine
PubChem CID135219142
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-buta-1,3-dien-2-yl-3-pentylpiperidine
SMILESC=CC(=C)N1CCCC(CCCCC)C1
InChIInChI=1S/C14H25N/c1-4-6-7-9-14-10-8-11-15(12-14)13(3)5-2/h5,14H,2-4,6-12H2,1H3
InChIKeyQDRRMSZWHYYVNZ-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-buta-1,3-dien-2-yl-3-methylpiperidine
CID 145201276
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
1-(3-butylpyrrolidin-1-yl)prop-2-en-1-one
CID 177023076
butyl (3S)-3-(3-hydroxypropyl)piperidine-1-carboxylate
CID 67695311
3-propylpiperidine-1-carboxamide
CID 18466872
1,3-di(tridecyl)piperidine
CID 162511834
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
ethene;pentylcyclopentane
CID 145442606
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
CID 80669729
methylcyclohexane;1-methyl-3-pentylpiperidine
CID 143571089
3-butyl-1-dodecylpiperidine
CID 171569666

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-3-pentylpiperidine?
The IUPAC name of 1-buta-1,3-dien-2-yl-3-pentylpiperidine (CID 135219142) is 1-buta-1,3-dien-2-yl-3-pentylpiperidine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-3-pentylpiperidine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-3-pentylpiperidine is C=CC(=C)N1CCCC(CCCCC)C1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-3-pentylpiperidine?
The InChIKey is QDRRMSZWHYYVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-6-7-9-14-10-8-11-15(12-14)13(3)5-2/h5,14H,2-4,6-12H2,1H3.
What are the key properties of 1-buta-1,3-dien-2-yl-3-pentylpiperidine?
1-buta-1,3-dien-2-yl-3-pentylpiperidine has a molecular weight of 207.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-3-pentylpiperidine is sourced from PubChem (CID 135219142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).