1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine

C17H28FN3 — CID 115938621

IUPAC1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine
SMILESCCCCN1CCC(NC(CC)c2ccc(F)cn2)CC1
InChIInChI=1S/C17H28FN3/c1-3-5-10-21-11-8-15(9-12-21)20-16(4-2)17-7-6-14(18)13-19-17/h6-7,13,15-16,20H,3-5,8-12H2,1-2H3
InChIKeyHNUQOEQMCNCWNV-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.53
Rot. Bonds7

About 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine

1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine (PubChem CID 115938621) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine
PubChem CID115938621
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine
SMILESCCCCN1CCC(NC(CC)c2ccc(F)cn2)CC1
InChIInChI=1S/C17H28FN3/c1-3-5-10-21-11-8-15(9-12-21)20-16(4-2)17-7-6-14(18)13-19-17/h6-7,13,15-16,20H,3-5,8-12H2,1-2H3
InChIKeyHNUQOEQMCNCWNV-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115938758
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 115938586
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,5-dimethylcyclohexan-1-amine
CID 112583178
N-[1-(5-fluoro-2-pyridinyl)propyl]-1,3-dimethylpiperidin-4-amine
CID 114503283
N-[1-(5-fluoro-2-pyridinyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 112583154
1-[1-[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837883
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115938578
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-N-methylpropan-1-amine
CID 83111511
1-(5-fluoro-2-pyridinyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 83126629

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine (CID 115938621) is 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine is CCCCN1CCC(NC(CC)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine?
The InChIKey is HNUQOEQMCNCWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-3-5-10-21-11-8-15(9-12-21)20-16(4-2)17-7-6-14(18)13-19-17/h6-7,13,15-16,20H,3-5,8-12H2,1-2H3.
What are the key properties of 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine?
1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine has a molecular weight of 293.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-amine is sourced from PubChem (CID 115938621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).