(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C18H24N4O2 — CID 95321454

IUPAC(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOc1ccc(OC)c(CN[C@@H]2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C18H24N4O2/c1-23-16-7-8-17(24-2)14(11-16)12-19-15-5-4-10-22(13-15)18-6-3-9-20-21-18/h3,6-9,11,15,19H,4-5,10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyAVMQGQNBQZRCMS-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds6

About (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95321454) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95321454
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOc1ccc(OC)c(CN[C@@H]2CCCN(c3cccnn3)C2)c1
InChIInChI=1S/C18H24N4O2/c1-23-16-7-8-17(24-2)14(11-16)12-19-15-5-4-10-22(13-15)18-6-3-9-20-21-18/h3,6-9,11,15,19H,4-5,10,12-13H2,1-2H3/t15-/m1/s1
InChIKeyAVMQGQNBQZRCMS-OAHLLOKOSA-N
XLogP2.25
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127354
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987
N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119124011
2-methoxy-5-nitro-4-[[(1-pyridazin-3-ylpiperidin-3-yl)amino]methyl]phenol
CID 119127366
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95321454) is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is COc1ccc(OC)c(CN[C@@H]2CCCN(c3cccnn3)C2)c1.
What is the InChIKey of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is AVMQGQNBQZRCMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-16-7-8-17(24-2)14(11-16)12-19-15-5-4-10-22(13-15)18-6-3-9-20-21-18/h3,6-9,11,15,19H,4-5,10,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95321454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).