1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine

C21H27N3O2 — CID 120910784

IUPAC1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
SMILESc1cc(C2CNCCN2Cc2ccc(OCC3CCCO3)cc2)ccn1
InChIInChI=1S/C21H27N3O2/c1-2-20(25-13-1)16-26-19-5-3-17(4-6-19)15-24-12-11-23-14-21(24)18-7-9-22-10-8-18/h3-10,20-21,23H,1-2,11-16H2
InChIKeyGOJQXKMSFJGLSE-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.79
Rot. Bonds6

About 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine

1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910784) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910784
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
SMILESc1cc(C2CNCCN2Cc2ccc(OCC3CCCO3)cc2)ccn1
InChIInChI=1S/C21H27N3O2/c1-2-20(25-13-1)16-26-19-5-3-17(4-6-19)15-24-12-11-23-14-21(24)18-7-9-22-10-8-18/h3-10,20-21,23H,1-2,11-16H2
InChIKeyGOJQXKMSFJGLSE-UHFFFAOYSA-N
XLogP2.79
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
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
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine (CID 120910784) is 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine is c1cc(C2CNCCN2Cc2ccc(OCC3CCCO3)cc2)ccn1.
What is the InChIKey of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is GOJQXKMSFJGLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-20(25-13-1)16-26-19-5-3-17(4-6-19)15-24-12-11-23-14-21(24)18-7-9-22-10-8-18/h3-10,20-21,23H,1-2,11-16H2.
What are the key properties of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 353.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).