[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

C12H16FN3O — CID 115736655

IUPAC[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESNCC1CCN(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C12H16FN3O/c13-11-5-10(7-15-8-11)12(17)16-3-1-9(6-14)2-4-16/h5,7-9H,1-4,6,14H2
InChIKeyGTTFDILAMRTSGY-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.03
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone

[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 115736655) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID115736655
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESNCC1CCN(C(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C12H16FN3O/c13-11-5-10(7-15-8-11)12(17)16-3-1-9(6-14)2-4-16/h5,7-9H,1-4,6,14H2
InChIKeyGTTFDILAMRTSGY-UHFFFAOYSA-N
XLogP1.03
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
[4-(4-aminobutyl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 104785306
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
(5-fluoro-3-pyridinyl)-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 124574317
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
5-[4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 166254894
2-[acetyl-[(4R)-1-(5-fluoropyridine-3-carbonyl)azepan-4-yl]amino]acetic acid
CID 129352721
(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 119105563

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone (CID 115736655) is [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is NCC1CCN(C(=O)c2cncc(F)c2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is GTTFDILAMRTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-11-5-10(7-15-8-11)12(17)16-3-1-9(6-14)2-4-16/h5,7-9H,1-4,6,14H2.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 237.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 115736655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).