1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one

C17H26N2O — CID 143584979

IUPAC1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one
SMILESCCCCC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-3-4-8-17(20)16-7-5-6-15(13-16)14-19-11-9-18(2)10-12-19/h5-7,13H,3-4,8-12,14H2,1-2H3
InChIKeyZHVPLVRXKDREHY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds6

About 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one

1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one (PubChem CID 143584979) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one
PubChem CID143584979
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one
SMILESCCCCC(=O)c1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O/c1-3-4-8-17(20)16-7-5-6-15(13-16)14-19-11-9-18(2)10-12-19/h5-7,13H,3-4,8-12,14H2,1-2H3
InChIKeyZHVPLVRXKDREHY-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
ethyl 4-[3-(azetidin-1-ylmethyl)phenyl]-4-oxobutanoate
CID 24724890
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 119402312
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486
1-(3-ethylphenyl)octan-1-one
CID 115788827
N-(1-amino-2-methylpropan-2-yl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119523575
1-(3-propylphenyl)heptan-1-one
CID 115812204
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120613822

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one?
The IUPAC name of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one (CID 143584979) is 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one.
What is the SMILES notation for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one?
The canonical SMILES for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one is CCCCC(=O)c1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one?
The InChIKey is ZHVPLVRXKDREHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-4-8-17(20)16-7-5-6-15(13-16)14-19-11-9-18(2)10-12-19/h5-7,13H,3-4,8-12,14H2,1-2H3.
What are the key properties of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one?
1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one is sourced from PubChem (CID 143584979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).