(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine

C18H23N3O — CID 124976190

IUPAC(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
SMILESCOc1ccc([C@H]2CN(Cc3ccccn3)CCN2C)cc1
InChIInChI=1S/C18H23N3O/c1-20-11-12-21(13-16-5-3-4-10-19-16)14-18(20)15-6-8-17(22-2)9-7-15/h3-10,18H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyLDNRCPTUOHMSOH-GOSISDBHSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds4

About (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine

(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 124976190) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
PubChem CID124976190
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
SMILESCOc1ccc([C@H]2CN(Cc3ccccn3)CCN2C)cc1
InChIInChI=1S/C18H23N3O/c1-20-11-12-21(13-16-5-3-4-10-19-16)14-18(20)15-6-8-17(22-2)9-7-15/h3-10,18H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyLDNRCPTUOHMSOH-GOSISDBHSA-N
XLogP2.58
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 110098244
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine
CID 131673667
5-methyl-3-[(4-methyl-3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 110098343
(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine
CID 124885920
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine
CID 91543463
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
(3aR,6aS)-2-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97452990

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine (CID 124976190) is (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine is COc1ccc([C@H]2CN(Cc3ccccn3)CCN2C)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is LDNRCPTUOHMSOH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-11-12-21(13-16-5-3-4-10-19-16)14-18(20)15-6-8-17(22-2)9-7-15/h3-10,18H,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine?
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 124976190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).