1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine

C20H25N3O — CID 120846431

IUPAC1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESc1cncc(C2CNCCN2Cc2ccc(OCC3CC3)cc2)c1
InChIInChI=1S/C20H25N3O/c1-2-18(12-21-9-1)20-13-22-10-11-23(20)14-16-5-7-19(8-6-16)24-15-17-3-4-17/h1-2,5-9,12,17,20,22H,3-4,10-11,13-15H2
InChIKeyJRFOEJBUCQNUPL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.02
Rot. Bonds6

About 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (PubChem CID 120846431) 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-3-ylpiperazine.

Molecular Properties

Compound Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
PubChem CID120846431
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
SMILESc1cncc(C2CNCCN2Cc2ccc(OCC3CC3)cc2)c1
InChIInChI=1S/C20H25N3O/c1-2-18(12-21-9-1)20-13-22-10-11-23(20)14-16-5-7-19(8-6-16)24-15-17-3-4-17/h1-2,5-9,12,17,20,22H,3-4,10-11,13-15H2
InChIKeyJRFOEJBUCQNUPL-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-4-ylpiperazine
CID 120910181
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754417
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768294
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine (CID 120846431) is 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine is c1cncc(C2CNCCN2Cc2ccc(OCC3CC3)cc2)c1.
What is the InChIKey of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
The InChIKey is JRFOEJBUCQNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-18(12-21-9-1)20-13-22-10-11-23(20)14-16-5-7-19(8-6-16)24-15-17-3-4-17/h1-2,5-9,12,17,20,22H,3-4,10-11,13-15H2.
What are the key properties of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine?
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-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-3-ylpiperazine is sourced from PubChem (CID 120846431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).