(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

C19H30ClN3O2 — CID 119930139

IUPAC(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCOc1ccccc1C(=O)N1CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-2-24-18-6-4-3-5-17(18)19(23)22-13-11-21(12-14-22)15-16-7-9-20-10-8-16;/h3-6,16,20H,2,7-15H2,1H3;1H
InChIKeyZBDZSMJPOUWWLH-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.26
Rot. Bonds5

About (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride

(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119930139) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119930139
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCOc1ccccc1C(=O)N1CCN(CC2CCNCC2)CC1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-2-24-18-6-4-3-5-17(18)19(23)22-13-11-21(12-14-22)15-16-7-9-20-10-8-16;/h3-6,16,20H,2,7-15H2,1H3;1H
InChIKeyZBDZSMJPOUWWLH-UHFFFAOYSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride 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

(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
[4-(2-bromoethyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 80661320
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 95751553
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
(2,6-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119931000
(2-ethoxyphenyl)-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]methanone
CID 75507486
(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 119930139) is (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is CCOc1ccccc1C(=O)N1CCN(CC2CCNCC2)CC1.Cl.
What is the InChIKey of (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is ZBDZSMJPOUWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-2-24-18-6-4-3-5-17(18)19(23)22-13-11-21(12-14-22)15-16-7-9-20-10-8-16;/h3-6,16,20H,2,7-15H2,1H3;1H.
What are the key properties of (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
(2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119930139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).