2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine

C19H25N3O — CID 175656523

IUPAC2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)Oc1ccc(C2CNCCN2Cc2ccncc2)cc1
InChIInChI=1S/C19H25N3O/c1-15(2)23-18-5-3-17(4-6-18)19-13-21-11-12-22(19)14-16-7-9-20-10-8-16/h3-10,15,19,21H,11-14H2,1-2H3
InChIKeyQOPTWHVNENDLPK-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.02
Rot. Bonds5

About 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine

2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 175656523) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
PubChem CID175656523
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)Oc1ccc(C2CNCCN2Cc2ccncc2)cc1
InChIInChI=1S/C19H25N3O/c1-15(2)23-18-5-3-17(4-6-18)19-13-21-11-12-22(19)14-16-7-9-20-10-8-16/h3-10,15,19,21H,11-14H2,1-2H3
InChIKeyQOPTWHVNENDLPK-UHFFFAOYSA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 124944321
1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659582
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175660271
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine (CID 175656523) is 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine is CC(C)Oc1ccc(C2CNCCN2Cc2ccncc2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is QOPTWHVNENDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(2)23-18-5-3-17(4-6-18)19-13-21-11-12-22(19)14-16-7-9-20-10-8-16/h3-10,15,19,21H,11-14H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine?
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 311.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 175656523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).