1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine

C17H21N3 — CID 141329163

IUPAC1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine
SMILESCc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H21N3/c1-14-12-15(2)18-17(13-14)20-10-8-19(9-11-20)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyPOFPQBCWSQDNLR-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.03
Rot. Bonds2

About 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine

1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine (PubChem CID 141329163) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine
PubChem CID141329163
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine
SMILESCc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H21N3/c1-14-12-15(2)18-17(13-14)20-10-8-19(9-11-20)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3
InChIKeyPOFPQBCWSQDNLR-UHFFFAOYSA-N
XLogP3.03
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Blonanserin
CID 125564
Tripelennamine Hydrochloride
CID 9066
Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-Methylquipazine
CID 5013
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine (CID 141329163) is 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine is Cc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine?
The InChIKey is POFPQBCWSQDNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-14-12-15(2)18-17(13-14)20-10-8-19(9-11-20)16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine?
1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine has a molecular weight of 267.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine is sourced from PubChem (CID 141329163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).