1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride

C17H27Cl2N3 — CID 120897569

IUPAC1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
SMILESCC1(CN2CCN(Cc3cccc(Cl)c3)CC2)CCNC1.Cl
InChIInChI=1S/C17H26ClN3.ClH/c1-17(5-6-19-13-17)14-21-9-7-20(8-10-21)12-15-3-2-4-16(18)11-15;/h2-4,11,19H,5-10,12-14H2,1H3;1H
InChIKeyKEYAAWBYCQMECV-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.88
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride

1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride (PubChem CID 120897569) has the molecular formula C17H27Cl2N3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
PubChem CID120897569
Molecular FormulaC17H27Cl2N3
Molecular Weight344.33 g/mol
Exact Mass343.16
IUPAC Name1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
SMILESCC1(CN2CCN(Cc3cccc(Cl)c3)CC2)CCNC1.Cl
InChIInChI=1S/C17H26ClN3.ClH/c1-17(5-6-19-13-17)14-21-9-7-20(8-10-21)12-15-3-2-4-16(18)11-15;/h2-4,11,19H,5-10,12-14H2,1H3;1H
InChIKeyKEYAAWBYCQMECV-UHFFFAOYSA-N
XLogP2.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;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

1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898158
1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898489
methyl 2-(3-chlorophenyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetate;hydrochloride
CID 120904366
2-(3-chlorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120903950
N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120898515
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 114172884
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120905694
1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120898300
N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898003
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride (CID 120897569) is 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride is CC1(CN2CCN(Cc3cccc(Cl)c3)CC2)CCNC1.Cl.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The InChIKey is KEYAAWBYCQMECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3.ClH/c1-17(5-6-19-13-17)14-21-9-7-20(8-10-21)12-15-3-2-4-16(18)11-15;/h2-4,11,19H,5-10,12-14H2,1H3;1H.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride has a molecular weight of 344.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120897569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).