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

C20H25N3O — CID 120910181

IUPAC1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
SMILESc1cc(C2CNCCN2Cc2ccc(OCC3CC3)cc2)ccn1
InChIInChI=1S/C20H25N3O/c1-2-17(1)15-24-19-5-3-16(4-6-19)14-23-12-11-22-13-20(23)18-7-9-21-10-8-18/h3-10,17,20,22H,1-2,11-15H2
InChIKeyFKLPHUVCOCBONT-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.02
Rot. Bonds6

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

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine (PubChem CID 120910181) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
PubChem CID120910181
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
SMILESc1cc(C2CNCCN2Cc2ccc(OCC3CC3)cc2)ccn1
InChIInChI=1S/C20H25N3O/c1-2-17(1)15-24-19-5-3-16(4-6-19)14-23-12-11-22-13-20(23)18-7-9-21-10-8-18/h3-10,17,20,22H,1-2,11-15H2
InChIKeyFKLPHUVCOCBONT-UHFFFAOYSA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910784
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
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
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
5-chloro-2-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910056

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
The IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine (CID 120910181) is 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine is c1cc(C2CNCCN2Cc2ccc(OCC3CC3)cc2)ccn1.
What is the InChIKey of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
The InChIKey is FKLPHUVCOCBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-17(1)15-24-19-5-3-16(4-6-19)14-23-12-11-22-13-20(23)18-7-9-21-10-8-18/h3-10,17,20,22H,1-2,11-15H2.
What are the key properties of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine?
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine has a molecular weight of 323.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine is sourced from PubChem (CID 120910181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).