(3,5-dimethylpiperazin-1-yl)-phenylmethanone

C13H18N2O — CID 10560788

IUPAC(3,5-dimethylpiperazin-1-yl)-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CC(C)N1
InChIInChI=1S/C13H18N2O/c1-10-8-15(9-11(2)14-10)13(16)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyXNJTZEIACWHFNM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.51
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-phenylmethanone

(3,5-dimethylpiperazin-1-yl)-phenylmethanone (PubChem CID 10560788) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-phenylmethanone
PubChem CID10560788
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3,5-dimethylpiperazin-1-yl)-phenylmethanone
SMILESCC1CN(C(=O)c2ccccc2)CC(C)N1
InChIInChI=1S/C13H18N2O/c1-10-8-15(9-11(2)14-10)13(16)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyXNJTZEIACWHFNM-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,6S)-4-benzoyl-6-methylpiperazin-2-yl]acetic acid
CID 176721285
(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124590225
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
[(3S,5S)-3,5-dibenzylpiperazin-1-yl]-phenylmethanone
CID 102468577
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 141132994

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-phenylmethanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-phenylmethanone (CID 10560788) is (3,5-dimethylpiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-phenylmethanone is CC1CN(C(=O)c2ccccc2)CC(C)N1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-phenylmethanone?
The InChIKey is XNJTZEIACWHFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-15(9-11(2)14-10)13(16)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-phenylmethanone?
(3,5-dimethylpiperazin-1-yl)-phenylmethanone has a molecular weight of 218.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 10560788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).