1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine

C17H23FN4 — CID 154807954

IUPAC1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
SMILESCc1cc(F)ccc1N1CCCC(NCc2[nH]ncc2C)C1
InChIInChI=1S/C17H23FN4/c1-12-8-14(18)5-6-17(12)22-7-3-4-15(11-22)19-10-16-13(2)9-20-21-16/h5-6,8-9,15,19H,3-4,7,10-11H2,1-2H3,(H,20,21)
InChIKeyGHGCWEAIZCUZGK-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine

1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine (PubChem CID 154807954) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
PubChem CID154807954
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine
SMILESCc1cc(F)ccc1N1CCCC(NCc2[nH]ncc2C)C1
InChIInChI=1S/C17H23FN4/c1-12-8-14(18)5-6-17(12)22-7-3-4-15(11-22)19-10-16-13(2)9-20-21-16/h5-6,8-9,15,19H,3-4,7,10-11H2,1-2H3,(H,20,21)
InChIKeyGHGCWEAIZCUZGK-UHFFFAOYSA-N
XLogP2.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133304646
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
CID 119883938
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 124565601
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45230292
N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
methyl 2-[6-[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]pyrazin-2-yl]sulfanylacetate
CID 133471435
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 56791945
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine (CID 154807954) is 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine is Cc1cc(F)ccc1N1CCCC(NCc2[nH]ncc2C)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is GHGCWEAIZCUZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-12-8-14(18)5-6-17(12)22-7-3-4-15(11-22)19-10-16-13(2)9-20-21-16/h5-6,8-9,15,19H,3-4,7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine?
1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 302.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 154807954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).