N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine

C15H18F2N4 — CID 45201696

IUPACN-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
SMILESFc1ccc(NC2CCCN(Cc3ccn[nH]3)C2)cc1F
InChIInChI=1S/C15H18F2N4/c16-14-4-3-11(8-15(14)17)19-12-2-1-7-21(9-12)10-13-5-6-18-20-13/h3-6,8,12,19H,1-2,7,9-10H2,(H,18,20)
InChIKeyOOCMTGJVMZLXSC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.76
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine

N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine (PubChem CID 45201696) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
PubChem CID45201696
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC NameN-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
SMILESFc1ccc(NC2CCCN(Cc3ccn[nH]3)C2)cc1F
InChIInChI=1S/C15H18F2N4/c16-14-4-3-11(8-15(14)17)19-12-2-1-7-21(9-12)10-13-5-6-18-20-13/h3-6,8,12,19H,1-2,7,9-10H2,(H,18,20)
InChIKeyOOCMTGJVMZLXSC-UHFFFAOYSA-N
XLogP2.76
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209857
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209911
1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209962
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209964
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601333
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601337
1-(4-fluorophenyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812426
2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
CID 19626212
N-(3,4-difluorophenyl)-1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinamine
CID 24793309
N-(3,4-difluorophenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24819244

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine (CID 45201696) is N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine is Fc1ccc(NC2CCCN(Cc3ccn[nH]3)C2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
The InChIKey is OOCMTGJVMZLXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c16-14-4-3-11(8-15(14)17)19-12-2-1-7-21(9-12)10-13-5-6-18-20-13/h3-6,8,12,19H,1-2,7,9-10H2,(H,18,20).
What are the key properties of N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine?
N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine has a molecular weight of 292.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 45201696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).