3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one

C18H26N2O — CID 62612666

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-15-2-6-17(7-3-15)18(21)8-9-19-10-12-20(13-11-19)14-16-4-5-16/h2-3,6-7,16H,4-5,8-14H2,1H3
InChIKeyBZOYSJVCCOTBGZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.60
Rot. Bonds6

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one

3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one (PubChem CID 62612666) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
PubChem CID62612666
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-15-2-6-17(7-3-15)18(21)8-9-19-10-12-20(13-11-19)14-16-4-5-16/h2-3,6-7,16H,4-5,8-14H2,1H3
InChIKeyBZOYSJVCCOTBGZ-UHFFFAOYSA-N
XLogP2.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 62612643
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
1-(4-methylphenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butane-1,4-dione
CID 110304847
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
1-(4-methylphenyl)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63634955

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one (CID 62612666) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
The InChIKey is BZOYSJVCCOTBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15-2-6-17(7-3-15)18(21)8-9-19-10-12-20(13-11-19)14-16-4-5-16/h2-3,6-7,16H,4-5,8-14H2,1H3.
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one?
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62612666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).