1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride

C21H28Cl2N2 — CID 171292166

IUPAC1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ccc([C@@H](CC3CC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C21H26N2.2ClH/c1-2-4-18(5-3-1)19-8-10-20(11-9-19)21(16-17-6-7-17)23-14-12-22-13-15-23;;/h1-5,8-11,17,21-22H,6-7,12-16H2;2*1H/t21-;;/m1../s1
InChIKeyKNZPOOPDUYPHMJ-GHVWMZMZSA-N
MW379.38 g/mol
LogP4.94
Rot. Bonds5

About 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171292166) has the molecular formula C21H28Cl2N2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171292166
Molecular FormulaC21H28Cl2N2
Molecular Weight379.38 g/mol
Exact Mass378.16
IUPAC Name1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2ccc([C@@H](CC3CC3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C21H26N2.2ClH/c1-2-4-18(5-3-1)19-8-10-20(11-9-19)21(16-17-6-7-17)23-14-12-22-13-15-23;;/h1-5,8-11,17,21-22H,6-7,12-16H2;2*1H/t21-;;/m1../s1
InChIKeyKNZPOOPDUYPHMJ-GHVWMZMZSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine
CID 171292165
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;hydrochloride
CID 171181994
1-[(1S)-2-fluoro-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride
CID 171292149
1-[(1S)-3,3-difluoro-1-(4-phenylphenyl)propyl]piperazine;hydrochloride
CID 171180179
1-[(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281131
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1R)-1-(4-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171292164
(3R)-3-(4-phenylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189192

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride (CID 171292166) is 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.c1ccc(-c2ccc([C@@H](CC3CC3)N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is KNZPOOPDUYPHMJ-GHVWMZMZSA-N. The full InChI is InChI=1S/C21H26N2.2ClH/c1-2-4-18(5-3-1)19-8-10-20(11-9-19)21(16-17-6-7-17)23-14-12-22-13-15-23;;/h1-5,8-11,17,21-22H,6-7,12-16H2;2*1H/t21-;;/m1../s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 379.38 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).