1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine

C25H31FN4 — CID 42363923

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C25H31FN4/c1-28(19-22-5-9-25(10-6-22)30-15-2-14-27-30)20-23-12-17-29(18-13-23)16-11-21-3-7-24(26)8-4-21/h2-10,14-15,23H,11-13,16-20H2,1H3
InChIKeyKCVFSUQTPWWCOE-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.40
Rot. Bonds8

About 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine (PubChem CID 42363923) has the molecular formula C25H31FN4 and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
PubChem CID42363923
Molecular FormulaC25H31FN4
Molecular Weight406.55 g/mol
Exact Mass406.25
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)CC1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C25H31FN4/c1-28(19-22-5-9-25(10-6-22)30-15-2-14-27-30)20-23-12-17-29(18-13-23)16-11-21-3-7-24(26)8-4-21/h2-10,14-15,23H,11-13,16-20H2,1H3
InChIKeyKCVFSUQTPWWCOE-UHFFFAOYSA-N
XLogP4.40
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine (CID 42363923) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine is CN(Cc1ccc(-n2cccn2)cc1)CC1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
The InChIKey is KCVFSUQTPWWCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4/c1-28(19-22-5-9-25(10-6-22)30-15-2-14-27-30)20-23-12-17-29(18-13-23)16-11-21-3-7-24(26)8-4-21/h2-10,14-15,23H,11-13,16-20H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine has a molecular weight of 406.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine is sourced from PubChem (CID 42363923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).