(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C16H19ClN4 — CID 124544986

IUPAC(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESClc1ccccc1CN[C@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19ClN4/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-/m0/s1
InChIKeyHXGSHUHCSYBATM-AWEZNQCLSA-N
MW302.81 g/mol
LogP2.89
Rot. Bonds4

About (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 124544986) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID124544986
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESClc1ccccc1CN[C@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H19ClN4/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-/m0/s1
InChIKeyHXGSHUHCSYBATM-AWEZNQCLSA-N
XLogP2.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(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
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(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
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119125297
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 124544986) is (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Clc1ccccc1CN[C@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is HXGSHUHCSYBATM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19ClN4/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-/m0/s1.
What are the key properties of (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 302.81 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 124544986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).