[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine

C12H18FN3 — CID 104973692

IUPAC[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1cncc(F)c1
InChIInChI=1S/C12H18FN3/c13-11-5-10(7-15-8-11)9-16-4-2-1-3-12(16)6-14/h5,7-8,12H,1-4,6,9,14H2
InChIKeyXIGALMKGGFIOCE-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.53
Rot. Bonds3

About [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine

[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine (PubChem CID 104973692) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
PubChem CID104973692
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1cncc(F)c1
InChIInChI=1S/C12H18FN3/c13-11-5-10(7-15-8-11)9-16-4-2-1-3-12(16)6-14/h5,7-8,12H,1-4,6,9,14H2
InChIKeyXIGALMKGGFIOCE-UHFFFAOYSA-N
XLogP1.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-2-yl]methanamine
CID 115741520
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044
[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 66117539
8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114084592
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 112645998

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine (CID 104973692) is [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1cncc(F)c1.
What is the InChIKey of [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is XIGALMKGGFIOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c13-11-5-10(7-15-8-11)9-16-4-2-1-3-12(16)6-14/h5,7-8,12H,1-4,6,9,14H2.
What are the key properties of [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine?
[1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-3-pyridinyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 104973692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).