1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine

C18H27Cl2N3 — CID 558444

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESClc1ccc(CCN2CCN(CCN3CCCC3)CC2)cc1Cl
InChIInChI=1S/C18H27Cl2N3/c19-17-4-3-16(15-18(17)20)5-8-22-10-13-23(14-11-22)12-9-21-6-1-2-7-21/h3-4,15H,1-2,5-14H2
InChIKeyHIDFEINXRKGGAX-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.25
Rot. Bonds6

About 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine

1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 558444) has the molecular formula C18H27Cl2N3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID558444
Molecular FormulaC18H27Cl2N3
Molecular Weight356.34 g/mol
Exact Mass355.16
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
SMILESClc1ccc(CCN2CCN(CCN3CCCC3)CC2)cc1Cl
InChIInChI=1S/C18H27Cl2N3/c19-17-4-3-16(15-18(17)20)5-8-22-10-13-23(14-11-22)12-9-21-6-1-2-7-21/h3-4,15H,1-2,5-14H2
InChIKeyHIDFEINXRKGGAX-UHFFFAOYSA-N
XLogP3.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichlorophenyl)ethyl]-4-(3-fluoropropyl)piperazine
CID 594236
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
1-[2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117492854
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904538
3-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]benzoic acid
CID 122029349
2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 10337537
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904537
1-(2-bromoethyl)-4-[(3,4-dichlorophenyl)methyl]piperazine
CID 80674464
(8aR)-1-[2-(3,4-dichlorophenyl)ethyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 22878400
1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine (CID 558444) is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine is Clc1ccc(CCN2CCN(CCN3CCCC3)CC2)cc1Cl.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is HIDFEINXRKGGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3/c19-17-4-3-16(15-18(17)20)5-8-22-10-13-23(14-11-22)12-9-21-6-1-2-7-21/h3-4,15H,1-2,5-14H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine?
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 356.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 558444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).