1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine

C17H28N2 — CID 140997105

IUPAC1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine
SMILESC=CCC1=CC=CN(CCCCC2CCNCC2)C1
InChIInChI=1S/C17H28N2/c1-2-6-17-8-5-14-19(15-17)13-4-3-7-16-9-11-18-12-10-16/h2,5,8,14,16,18H,1,3-4,6-7,9-13,15H2
InChIKeyAQLNFPOBBCHCOQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.49
Rot. Bonds7

About 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine

1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine (PubChem CID 140997105) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine.

Molecular Properties

Compound Name1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine
PubChem CID140997105
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine
SMILESC=CCC1=CC=CN(CCCCC2CCNCC2)C1
InChIInChI=1S/C17H28N2/c1-2-6-17-8-5-14-19(15-17)13-4-3-7-16-9-11-18-12-10-16/h2,5,8,14,16,18H,1,3-4,6-7,9-13,15H2
InChIKeyAQLNFPOBBCHCOQ-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
Octahydro-benz[g]isochinoline
CID 129648171
2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
CID 69107961
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085543
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
CID 123278977
N-[3-[4-[2-[4-[(4E,6E)-7-fluoro-4-methylocta-4,6-dienyl]-1,2-dihydropyridin-5-yl]propyl]cyclohexa-2,4-dien-1-yl]propyl]-N-methylbutan-1-amine
CID 142017533
6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole
CID 144855194
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyridine
CID 162587231
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine
CID 18335842
1,2,3,4,6,6a,10a,10b-Octahydrobenzo[f]isoquinoline
CID 19093649
(10aR,10bS)-1,2,3,4,6,6a,10a,10b-octahydrobenzo[f]isoquinoline
CID 54344750

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine?
The IUPAC name of 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine (CID 140997105) is 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine.
What is the SMILES notation for 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine?
The canonical SMILES for 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine is C=CCC1=CC=CN(CCCCC2CCNCC2)C1.
What is the InChIKey of 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine?
The InChIKey is AQLNFPOBBCHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-6-17-8-5-14-19(15-17)13-4-3-7-16-9-11-18-12-10-16/h2,5,8,14,16,18H,1,3-4,6-7,9-13,15H2.
What are the key properties of 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine?
1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine has a molecular weight of 260.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-4-ylbutyl)-3-prop-2-enyl-2H-pyridine is sourced from PubChem (CID 140997105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).