(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

C18H24N4O — CID 95348610

IUPAC(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C18H24N4O/c1-14-9-10-18(21-20-14)22-11-5-7-16(13-22)19-12-15-6-3-4-8-17(15)23-2/h3-4,6,8-10,16,19H,5,7,11-13H2,1-2H3/t16-/m0/s1
InChIKeyBRAPBZGLKUBCIB-INIZCTEOSA-N
MW312.42 g/mol
LogP2.55
Rot. Bonds5

About (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (PubChem CID 95348610) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
PubChem CID95348610
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN(c2ccc(C)nn2)C1
InChIInChI=1S/C18H24N4O/c1-14-9-10-18(21-20-14)22-11-5-7-16(13-22)19-12-15-6-3-4-8-17(15)23-2/h3-4,6,8-10,16,19H,5,7,11-13H2,1-2H3/t16-/m0/s1
InChIKeyBRAPBZGLKUBCIB-INIZCTEOSA-N
XLogP2.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545138
(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
4-fluoro-3-[[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]methyl]benzonitrile
CID 97186348
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The IUPAC name of (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (CID 95348610) is (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is COc1ccccc1CN[C@H]1CCCN(c2ccc(C)nn2)C1.
What is the InChIKey of (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The InChIKey is BRAPBZGLKUBCIB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-9-10-18(21-20-14)22-11-5-7-16(13-22)19-12-15-6-3-4-8-17(15)23-2/h3-4,6,8-10,16,19H,5,7,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine has a molecular weight of 312.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 95348610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).