1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine

C20H22Cl2N2 — CID 10761040

IUPAC1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESClc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H22Cl2N2/c21-18-7-4-8-19(20(18)22)24-11-9-23(10-12-24)14-16-13-17(16)15-5-2-1-3-6-15/h1-8,16-17H,9-14H2/t16-,17-/m1/s1
InChIKeyZPBGUIIINBYMKM-IAGOWNOFSA-N
MW361.32 g/mol
LogP4.92
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine

1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (PubChem CID 10761040) has the molecular formula C20H22Cl2N2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
PubChem CID10761040
Molecular FormulaC20H22Cl2N2
Molecular Weight361.32 g/mol
Exact Mass360.12
IUPAC Name1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESClc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H22Cl2N2/c21-18-7-4-8-19(20(18)22)24-11-9-23(10-12-24)14-16-13-17(16)15-5-2-1-3-6-15/h1-8,16-17H,9-14H2/t16-,17-/m1/s1
InChIKeyZPBGUIIINBYMKM-IAGOWNOFSA-N
XLogP4.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613652
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10615990
2-[5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]isoindole-1,3-dione
CID 155034814
1-(4-bromo-3-methylphenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine
CID 20736310
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
4-[[(1S,2S)-2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclopropyl]methyl]-8-hydroxy-9-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58097973
2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
CID 154859097
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
N-[4-[[(1S,2S)-2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]acetamide
CID 58098214
1-(2,3-dichlorophenyl)-4-(2-piperidin-4-ylethyl)piperazine
CID 68811205
1-amino-3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propan-2-ol
CID 58358793

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (CID 10761040) is 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is Clc1cccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The InChIKey is ZPBGUIIINBYMKM-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H22Cl2N2/c21-18-7-4-8-19(20(18)22)24-11-9-23(10-12-24)14-16-13-17(16)15-5-2-1-3-6-15/h1-8,16-17H,9-14H2/t16-,17-/m1/s1.
What are the key properties of 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine has a molecular weight of 361.32 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is sourced from PubChem (CID 10761040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).