[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate

C19H23N3O2 — CID 132577925

IUPAC[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccnc1N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(23)24-14-17-9-6-10-20-19(17)22-12-11-21(2)13-18(22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3
InChIKeyKUJHGZLSQNHFOC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.64
Rot. Bonds4

About [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate

[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate (PubChem CID 132577925) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate
PubChem CID132577925
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate
SMILESCC(=O)OCc1cccnc1N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-15(23)24-14-17-9-6-10-20-19(17)22-12-11-21(2)13-18(22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3
InChIKeyKUJHGZLSQNHFOC-UHFFFAOYSA-N
XLogP2.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(chloromethyl)-2-pyridinyl]-4-methyl-2-phenylpiperazine
CID 61257187
[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-3-pyridinyl]methanol;(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 24744055
9,10,13-trimethyl-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5,9-tetraene
CID 143181782
1-methyl-3-(4-methyl-2-phenylpiperazin-1-yl)pyrazol-4-amine
CID 103077821
6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
CID 81134069
1-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 51116547
formic acid;[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]-[(1S,4S)-5-(1,2-oxazole-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
CID 172895896
(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-one
CID 25156465
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
CID 79639316
4-methyl-2-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 47041232
1-[2-(chloromethyl)-4-pyridinyl]-4-methyl-2-phenylpiperazine
CID 61257188

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate?
The IUPAC name of [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate (CID 132577925) is [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate.
What is the SMILES notation for [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate?
The canonical SMILES for [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate is CC(=O)OCc1cccnc1N1CCN(C)CC1c1ccccc1.
What is the InChIKey of [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate?
The InChIKey is KUJHGZLSQNHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)24-14-17-9-6-10-20-19(17)22-12-11-21(2)13-18(22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3.
What are the key properties of [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate?
[2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate has a molecular weight of 325.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methyl acetate is sourced from PubChem (CID 132577925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).