1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride

C17H27Cl2N3 — CID 120898158

IUPAC1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
SMILESCC1(CN2CCN(Cc3ccccc3Cl)CC2)CCNC1.Cl
InChIInChI=1S/C17H26ClN3.ClH/c1-17(6-7-19-13-17)14-21-10-8-20(9-11-21)12-15-4-2-3-5-16(15)18;/h2-5,19H,6-14H2,1H3;1H
InChIKeyJLPYOOYCVWIGTB-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.88
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride

1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride (PubChem CID 120898158) has the molecular formula C17H27Cl2N3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
PubChem CID120898158
Molecular FormulaC17H27Cl2N3
Molecular Weight344.33 g/mol
Exact Mass343.16
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
SMILESCC1(CN2CCN(Cc3ccccc3Cl)CC2)CCNC1.Cl
InChIInChI=1S/C17H26ClN3.ClH/c1-17(6-7-19-13-17)14-21-10-8-20(9-11-21)12-15-4-2-3-5-16(15)18;/h2-5,19H,6-14H2,1H3;1H
InChIKeyJLPYOOYCVWIGTB-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

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120898489
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
CID 120897569
5-chloro-2-[(3-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 120900285
2-[(3-methylpyrrolidin-3-yl)methyl]-1,3-dihydroisoindole
CID 63143249
4-chloro-1-[(3-methylpyrrolidin-3-yl)methyl]-2,3-dihydroindole
CID 120902173
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 120897398
4-(4-chlorophenyl)-4-fluoro-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120905694
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120902495
1-(5-chloro-2-pyridinyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120898300
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898003

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride (CID 120898158) is 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride is CC1(CN2CCN(Cc3ccccc3Cl)CC2)CCNC1.Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
The InChIKey is JLPYOOYCVWIGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3.ClH/c1-17(6-7-19-13-17)14-21-10-8-20(9-11-21)12-15-4-2-3-5-16(15)18;/h2-5,19H,6-14H2,1H3;1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride?
1-[(2-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-[(2-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120898158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).