[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone

C14H21N3O — CID 50999638

IUPAC[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O/c1-11-10-15-8-9-17(11)14(18)12-4-6-13(7-5-12)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyWLQCWQZDRSPBAV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.19
Rot. Bonds2

About [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone

[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone (PubChem CID 50999638) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
PubChem CID50999638
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21N3O/c1-11-10-15-8-9-17(11)14(18)12-4-6-13(7-5-12)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyWLQCWQZDRSPBAV-UHFFFAOYSA-N
XLogP1.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
(2-methylpiperazin-1-yl)-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119473409
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone (CID 50999638) is [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone?
The InChIKey is WLQCWQZDRSPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-10-15-8-9-17(11)14(18)12-4-6-13(7-5-12)16(2)3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone?
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone has a molecular weight of 247.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 50999638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).