(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride

C20H34Cl2N4O — CID 120819644

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(N)C(C)(C)C3)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H32N4O.2ClH/c1-4-22-11-13-23(14-12-22)17-7-5-16(6-8-17)19(25)24-10-9-18(21)20(2,3)15-24;;/h5-8,18H,4,9-15,21H2,1-3H3;2*1H
InChIKeyBXMLESQDBPWOKF-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.87
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride (PubChem CID 120819644) has the molecular formula C20H34Cl2N4O and a molecular weight of 417.43 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
PubChem CID120819644
Molecular FormulaC20H34Cl2N4O
Molecular Weight417.43 g/mol
Exact Mass416.21
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
SMILESCCN1CCN(c2ccc(C(=O)N3CCC(N)C(C)(C)C3)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H32N4O.2ClH/c1-4-22-11-13-23(14-12-22)17-7-5-16(6-8-17)19(25)24-10-9-18(21)20(2,3)15-24;;/h5-8,18H,4,9-15,21H2,1-3H3;2*1H
InChIKeyBXMLESQDBPWOKF-UHFFFAOYSA-N
XLogP2.87
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120817158
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120814562
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
4-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]benzamide
CID 120816522
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124684035

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride (CID 120819644) is (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride is CCN1CCN(c2ccc(C(=O)N3CCC(N)C(C)(C)C3)cc2)CC1.Cl.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride?
The InChIKey is BXMLESQDBPWOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.2ClH/c1-4-22-11-13-23(14-12-22)17-7-5-16(6-8-17)19(25)24-10-9-18(21)20(2,3)15-24;;/h5-8,18H,4,9-15,21H2,1-3H3;2*1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride has a molecular weight of 417.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 120819644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).