3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine

C14H21F2N3 — CID 112675563

IUPAC3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
SMILESCC1CCCCN1CCCNc1ncc(F)cc1F
InChIInChI=1S/C14H21F2N3/c1-11-5-2-3-7-19(11)8-4-6-17-14-13(16)9-12(15)10-18-14/h9-11H,2-8H2,1H3,(H,17,18)
InChIKeyAKPCGBYXJCNHGK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.04
Rot. Bonds5

About 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine

3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine (PubChem CID 112675563) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
PubChem CID112675563
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
SMILESCC1CCCCN1CCCNc1ncc(F)cc1F
InChIInChI=1S/C14H21F2N3/c1-11-5-2-3-7-19(11)8-4-6-17-14-13(16)9-12(15)10-18-14/h9-11H,2-8H2,1H3,(H,17,18)
InChIKeyAKPCGBYXJCNHGK-UHFFFAOYSA-N
XLogP3.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
3,5-difluoro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 112675837
3-N-methyl-5-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3,5-diamine
CID 104532661
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65271137
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
CID 81229069
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924743
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 102876221

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine (CID 112675563) is 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine is CC1CCCCN1CCCNc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
The InChIKey is AKPCGBYXJCNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-11-5-2-3-7-19(11)8-4-6-17-14-13(16)9-12(15)10-18-14/h9-11H,2-8H2,1H3,(H,17,18).
What are the key properties of 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine?
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine has a molecular weight of 269.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 112675563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).