(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C16H19FN4 — CID 124544993

IUPAC(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESFc1ccccc1CN[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19FN4/c17-15-7-2-1-5-13(15)11-18-14-6-4-10-21(12-14)16-8-3-9-19-20-16/h1-3,5,7-9,14,18H,4,6,10-12H2/t14-/m1/s1
InChIKeyKTWBITIGFRXSQA-CQSZACIVSA-N
MW286.35 g/mol
LogP2.37
Rot. Bonds4

About (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 124544993) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID124544993
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESFc1ccccc1CN[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19FN4/c17-15-7-2-1-5-13(15)11-18-14-6-4-10-21(12-14)16-8-3-9-19-20-16/h1-3,5,7-9,14,18H,4,6,10-12H2/t14-/m1/s1
InChIKeyKTWBITIGFRXSQA-CQSZACIVSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95610632
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 124544993) is (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Fc1ccccc1CN[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is KTWBITIGFRXSQA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19FN4/c17-15-7-2-1-5-13(15)11-18-14-6-4-10-21(12-14)16-8-3-9-19-20-16/h1-3,5,7-9,14,18H,4,6,10-12H2/t14-/m1/s1.
What are the key properties of (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 286.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 124544993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).