1-(4-methylphenyl)-2-pyridin-3-ylpiperazine

C16H19N3 — CID 82131866

IUPAC1-(4-methylphenyl)-2-pyridin-3-ylpiperazine
SMILESCc1ccc(N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C16H19N3/c1-13-4-6-15(7-5-13)19-10-9-18-12-16(19)14-3-2-8-17-11-14/h2-8,11,16,18H,9-10,12H2,1H3
InChIKeyKJBHYCMHUVHXJJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.54
Rot. Bonds2

About 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine

1-(4-methylphenyl)-2-pyridin-3-ylpiperazine (PubChem CID 82131866) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyridin-3-ylpiperazine
PubChem CID82131866
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-(4-methylphenyl)-2-pyridin-3-ylpiperazine
SMILESCc1ccc(N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C16H19N3/c1-13-4-6-15(7-5-13)19-10-9-18-12-16(19)14-3-2-8-17-11-14/h2-8,11,16,18H,9-10,12H2,1H3
InChIKeyKJBHYCMHUVHXJJ-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731706
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
[4-(4-methylpyrazol-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732507
3-(4-methylphenyl)sulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731732
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729069
4-(2-pyridin-4-ylpiperazin-1-yl)phenol
CID 18918318
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine (CID 82131866) is 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine is Cc1ccc(N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine?
The InChIKey is KJBHYCMHUVHXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-13-4-6-15(7-5-13)19-10-9-18-12-16(19)14-3-2-8-17-11-14/h2-8,11,16,18H,9-10,12H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine?
1-(4-methylphenyl)-2-pyridin-3-ylpiperazine has a molecular weight of 253.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 82131866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).