[4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C17H27N3O — CID 10428707

IUPAC[4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(2)19-9-11-20(12-10-19)17(21)16-7-5-15(6-8-16)13-18(3)4/h5-8,14H,9-13H2,1-4H3
InChIKeyWTYYDZCVDBXKMZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.91
Rot. Bonds4

About [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 10428707) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID10428707
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-14(2)19-9-11-20(12-10-19)17(21)16-7-5-15(6-8-16)13-18(3)4/h5-8,14H,9-13H2,1-4H3
InChIKeyWTYYDZCVDBXKMZ-UHFFFAOYSA-N
XLogP1.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 10428707) is [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WTYYDZCVDBXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)19-9-11-20(12-10-19)17(21)16-7-5-15(6-8-16)13-18(3)4/h5-8,14H,9-13H2,1-4H3.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 10428707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).