[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone

C22H28N2O2 — CID 17349258

IUPAC[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-16-26-21-10-8-20(9-11-21)22(25)24-14-12-23(13-15-24)17-19-6-4-18(2)5-7-19/h4-11H,3,12-17H2,1-2H3
InChIKeyFYIBTVFMSULTNA-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.74
Rot. Bonds6

About [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone (PubChem CID 17349258) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
PubChem CID17349258
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-3-16-26-21-10-8-20(9-11-21)22(25)24-14-12-23(13-15-24)17-19-6-4-18(2)5-7-19/h4-11H,3,12-17H2,1-2H3
InChIKeyFYIBTVFMSULTNA-UHFFFAOYSA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]methanone
CID 151375895
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-methylsulfinylphenyl)methanone
CID 51278901
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(4-propylphenoxy)ethanone
CID 108533580
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 34563464
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenoxy]ethanone
CID 95567886
1-[4-[[4-[2-(4-methylphenoxy)ethyl]phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
CID 154462336
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
3-[1-(4-butoxybenzoyl)piperidin-4-yl]-4-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-one
CID 91890551

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone?
The IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone (CID 17349258) is [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone.
What is the SMILES notation for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone?
The canonical SMILES for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone?
The InChIKey is FYIBTVFMSULTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-16-26-21-10-8-20(9-11-21)22(25)24-14-12-23(13-15-24)17-19-6-4-18(2)5-7-19/h4-11H,3,12-17H2,1-2H3.
What are the key properties of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone?
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone has a molecular weight of 352.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone is sourced from PubChem (CID 17349258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).