4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine

C12H20FN3 — CID 103023162

IUPAC4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
SMILESCn1cc(CCC(F)C2CCNCC2)cn1
InChIInChI=1S/C12H20FN3/c1-16-9-10(8-15-16)2-3-12(13)11-4-6-14-7-5-11/h8-9,11-12,14H,2-7H2,1H3
InChIKeySQAACGJGYMULKL-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.69
Rot. Bonds4

About 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine

4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine (PubChem CID 103023162) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
PubChem CID103023162
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine
SMILESCn1cc(CCC(F)C2CCNCC2)cn1
InChIInChI=1S/C12H20FN3/c1-16-9-10(8-15-16)2-3-12(13)11-4-6-14-7-5-11/h8-9,11-12,14H,2-7H2,1H3
InChIKeySQAACGJGYMULKL-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544
1-methyl-4-(2-pyrrolidin-3-yloxyethyl)pyrazole
CID 103004028
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218

Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
The IUPAC name of 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine (CID 103023162) is 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
The canonical SMILES for 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine is Cn1cc(CCC(F)C2CCNCC2)cn1.
What is the InChIKey of 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
The InChIKey is SQAACGJGYMULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-16-9-10(8-15-16)2-3-12(13)11-4-6-14-7-5-11/h8-9,11-12,14H,2-7H2,1H3.
What are the key properties of 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine?
4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine has a molecular weight of 225.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-3-(1-methylpyrazol-4-yl)propyl]piperidine is sourced from PubChem (CID 103023162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).