N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine

C12H18FN3 — CID 171815594

IUPACN-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine
SMILESCc1nccc(CNC2CCNCC2)c1F
InChIInChI=1S/C12H18FN3/c1-9-12(13)10(2-7-15-9)8-16-11-3-5-14-6-4-11/h2,7,11,14,16H,3-6,8H2,1H3
InChIKeyKLFKLMIWBIZEFT-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.37
Rot. Bonds3

About N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine

N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine (PubChem CID 171815594) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine
PubChem CID171815594
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC NameN-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine
SMILESCc1nccc(CNC2CCNCC2)c1F
InChIInChI=1S/C12H18FN3/c1-9-12(13)10(2-7-15-9)8-16-11-3-5-14-6-4-11/h2,7,11,14,16H,3-6,8H2,1H3
InChIKeyKLFKLMIWBIZEFT-UHFFFAOYSA-N
XLogP1.37
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105388956
4-[(cyclopropylamino)methyl]-3-fluoro-N-propylpyridin-2-amine
CID 105390346
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-4-amine
CID 115118414
N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 22386980
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
1-[4-[(cyclopropylamino)methyl]-3-fluoro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389831
4-fluoro-2-[(piperidin-4-ylamino)methyl]phenol
CID 118140415
4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389282
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105389678
N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391070
N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105388892

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine (CID 171815594) is N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine is Cc1nccc(CNC2CCNCC2)c1F.
What is the InChIKey of N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is KLFKLMIWBIZEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9-12(13)10(2-7-15-9)8-16-11-3-5-14-6-4-11/h2,7,11,14,16H,3-6,8H2,1H3.
What are the key properties of N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine?
N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 223.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 171815594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).