(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine

C24H29FN4 — CID 51633841

IUPAC(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCN(Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C24H29FN4/c1-27(15-21-16-28(2)26-24(21)19-9-4-3-5-10-19)22-12-8-14-29(18-22)17-20-11-6-7-13-23(20)25/h3-7,9-11,13,16,22H,8,12,14-15,17-18H2,1-2H3/t22-/m1/s1
InChIKeyJCCUHWNEAQBIAH-JOCHJYFZSA-N
MW392.52 g/mol
LogP4.32
Rot. Bonds6

About (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine

(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 51633841) has the molecular formula C24H29FN4 and a molecular weight of 392.52 g/mol. Its IUPAC name is (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID51633841
Molecular FormulaC24H29FN4
Molecular Weight392.52 g/mol
Exact Mass392.24
IUPAC Name(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCN(Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C24H29FN4/c1-27(15-21-16-28(2)26-24(21)19-9-4-3-5-10-19)22-12-8-14-29(18-22)17-20-11-6-7-13-23(20)25/h3-7,9-11,13,16,22H,8,12,14-15,17-18H2,1-2H3/t22-/m1/s1
InChIKeyJCCUHWNEAQBIAH-JOCHJYFZSA-N
XLogP4.32
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 91796696
2-[2-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenoxy]ethanol
CID 45209442
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
1-[(2-fluorophenyl)methyl]-N-methyl-N-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperidin-3-amine
CID 45201374
1-methyl-3-phenyl-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyrazole
CID 74235992
cis-(1S,2R)-2-[methyl-[(1-methyl-3-phenylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 77082472
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24791341
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 56911407
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612
1-[(2-fluorophenyl)methyl]-N-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-amine
CID 45215511
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine (CID 51633841) is (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine is CN(Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is JCCUHWNEAQBIAH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29FN4/c1-27(15-21-16-28(2)26-24(21)19-9-4-3-5-10-19)22-12-8-14-29(18-22)17-20-11-6-7-13-23(20)25/h3-7,9-11,13,16,22H,8,12,14-15,17-18H2,1-2H3/t22-/m1/s1.
What are the key properties of (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine?
(3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 392.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 51633841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).