1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine

C16H21FN4 — CID 117210305

IUPAC1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine
SMILESCn1ncc(N2CCC(N)CC2)c1Cc1cccc(F)c1
InChIInChI=1S/C16H21FN4/c1-20-15(10-12-3-2-4-13(17)9-12)16(11-19-20)21-7-5-14(18)6-8-21/h2-4,9,11,14H,5-8,10,18H2,1H3
InChIKeyHQXJRUDTJCZZGB-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.08
Rot. Bonds3

About 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine

1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine (PubChem CID 117210305) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine
PubChem CID117210305
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine
SMILESCn1ncc(N2CCC(N)CC2)c1Cc1cccc(F)c1
InChIInChI=1S/C16H21FN4/c1-20-15(10-12-3-2-4-13(17)9-12)16(11-19-20)21-7-5-14(18)6-8-21/h2-4,9,11,14H,5-8,10,18H2,1H3
InChIKeyHQXJRUDTJCZZGB-UHFFFAOYSA-N
XLogP2.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3-chlorophenyl)methyl]-1,2-oxazol-4-yl]piperidin-4-amine
CID 117210033
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102799010
3-fluoro-4-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]aniline
CID 118164758
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117158091
1-[5-[(3-methoxyphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224093
3-[(3-fluorophenyl)methyl]-1-methylpyrazol-5-amine
CID 115092972
1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119374164
1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 62809520
1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119376448
1-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]piperidin-4-amine
CID 117210766

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine?
The IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine (CID 117210305) is 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine is Cn1ncc(N2CCC(N)CC2)c1Cc1cccc(F)c1.
What is the InChIKey of 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine?
The InChIKey is HQXJRUDTJCZZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-20-15(10-12-3-2-4-13(17)9-12)16(11-19-20)21-7-5-14(18)6-8-21/h2-4,9,11,14H,5-8,10,18H2,1H3.
What are the key properties of 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine?
1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine has a molecular weight of 288.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenyl)methyl]-1-methylpyrazol-4-yl]piperidin-4-amine is sourced from PubChem (CID 117210305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).