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

C20H22Cl2N2 — CID 10570563

IUPAC1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESClc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
InChIKeyUXAHKDYRRLVTBS-SJLPKXTDSA-N
MW361.32 g/mol
LogP4.92
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (PubChem CID 10570563) has the molecular formula C20H22Cl2N2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
PubChem CID10570563
Molecular FormulaC20H22Cl2N2
Molecular Weight361.32 g/mol
Exact Mass360.12
IUPAC Name1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESClc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
InChIKeyUXAHKDYRRLVTBS-SJLPKXTDSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (CID 10570563) is 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is Clc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The InChIKey is UXAHKDYRRLVTBS-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
1-(3,4-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-(3,4-dichlorophenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is sourced from PubChem (CID 10570563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).