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

C17H21N3O — CID 134032862

IUPAC1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C17H21N3O/c1-21-17-7-5-16(6-8-17)20-12-10-19(11-13-20)14-15-4-2-3-9-18-15/h2-9H,10-14H2,1H3
InChIKeyCVRSMDCOAJNQGA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.41
Rot. Bonds4

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

1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 134032862) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
PubChem CID134032862
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C17H21N3O/c1-21-17-7-5-16(6-8-17)20-12-10-19(11-13-20)14-15-4-2-3-9-18-15/h2-9H,10-14H2,1H3
InChIKeyCVRSMDCOAJNQGA-UHFFFAOYSA-N
XLogP2.41
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
ethane;2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine;prop-1-ene
CID 172594231
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine (CID 134032862) is 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine is COc1ccc(N2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is CVRSMDCOAJNQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-7-5-16(6-8-17)20-12-10-19(11-13-20)14-15-4-2-3-9-18-15/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine?
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 283.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 134032862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).