1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine

C20H27N3O — CID 3714513

IUPAC1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
SMILESCC(C)(C)Oc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N3O/c1-20(2,3)24-18-9-7-17(8-10-18)16-22-12-14-23(15-13-22)19-6-4-5-11-21-19/h4-11H,12-16H2,1-3H3
InChIKeyMWPURYKURHSSOD-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.58
Rot. Bonds4

About 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine

1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 3714513) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID3714513
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
SMILESCC(C)(C)Oc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N3O/c1-20(2,3)24-18-9-7-17(8-10-18)16-22-12-14-23(15-13-22)19-6-4-5-11-21-19/h4-11H,12-16H2,1-3H3
InChIKeyMWPURYKURHSSOD-UHFFFAOYSA-N
XLogP3.58
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-(4-pyridin-2-ylpiperazin-1-yl)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 55598245
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824521
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
2-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]-[1,3]thiazolo[5,4-c]pyridine
CID 58382738

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine (CID 3714513) is 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine is CC(C)(C)Oc1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is MWPURYKURHSSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-20(2,3)24-18-9-7-17(8-10-18)16-22-12-14-23(15-13-22)19-6-4-5-11-21-19/h4-11H,12-16H2,1-3H3.
What are the key properties of 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine?
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 325.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 3714513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).