1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine

C21H25Cl2N3 — CID 143255957

IUPAC1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine
SMILESClc1ccc(CN2CCN([C@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1
InChIInChI=1S/C21H25Cl2N3/c22-18-3-1-17(2-4-18)15-24-11-13-25(14-12-24)21-9-10-26(16-21)20-7-5-19(23)6-8-20/h1-8,21H,9-16H2/t21-/m0/s1
InChIKeyUHALYQZDBXSFBE-NRFANRHFSA-N
MW390.36 g/mol
LogP4.39
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine

1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine (PubChem CID 143255957) has the molecular formula C21H25Cl2N3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine
PubChem CID143255957
Molecular FormulaC21H25Cl2N3
Molecular Weight390.36 g/mol
Exact Mass389.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine
SMILESClc1ccc(CN2CCN([C@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1
InChIInChI=1S/C21H25Cl2N3/c22-18-3-1-17(2-4-18)15-24-11-13-25(14-12-24)21-9-10-26(16-21)20-7-5-19(23)6-8-20/h1-8,21H,9-16H2/t21-/m0/s1
InChIKeyUHALYQZDBXSFBE-NRFANRHFSA-N
XLogP4.39
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole
CID 143256047
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265
2-(4-chlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939590
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
CID 91085209
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 1332232
1-benzyl-4-cyclopropylpiperazine
CID 69195043
4-bromo-1-[(4-chlorophenyl)methyl]piperidine
CID 80679127
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 66968326

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine (CID 143255957) is 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine is Clc1ccc(CN2CCN([C@H]3CCN(c4ccc(Cl)cc4)C3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine?
The InChIKey is UHALYQZDBXSFBE-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25Cl2N3/c22-18-3-1-17(2-4-18)15-24-11-13-25(14-12-24)21-9-10-26(16-21)20-7-5-19(23)6-8-20/h1-8,21H,9-16H2/t21-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine has a molecular weight of 390.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 143255957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).