1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine

C15H22Cl2N2 — CID 171288417

IUPAC1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-15(2,3)14(19-6-4-18-5-7-19)11-8-12(16)10-13(17)9-11/h8-10,14,18H,4-7H2,1-3H3/t14-/m0/s1
InChIKeyOWEHQJCZKAXYRV-AWEZNQCLSA-N
MW301.26 g/mol
LogP3.99
Rot. Bonds2

About 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine

1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine (PubChem CID 171288417) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
PubChem CID171288417
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
SMILESCC(C)(C)[C@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-15(2,3)14(19-6-4-18-5-7-19)11-8-12(16)10-13(17)9-11/h8-10,14,18H,4-7H2,1-3H3/t14-/m0/s1
InChIKeyOWEHQJCZKAXYRV-AWEZNQCLSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[(1S)-1-(3,5-difluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277274
1-[(1R)-1-(3,5-dibromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171295363
1-[(1R)-2,2-dimethyl-1-(2,3,5-trichlorophenyl)propyl]piperazine;dihydrochloride
CID 171295326
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171272854
2,6-ditert-butyl-4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171272285
2,6-dibromo-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171286577
2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride
CID 171296210
4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2,6-dimethoxyphenol
CID 171273795
1-[(1S)-2,2-dimethyl-1-(3,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273651
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine
CID 171165458
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171296146

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine (CID 171288417) is 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine is CC(C)(C)[C@H](c1cc(Cl)cc(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine?
The InChIKey is OWEHQJCZKAXYRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-15(2,3)14(19-6-4-18-5-7-19)11-8-12(16)10-13(17)9-11/h8-10,14,18H,4-7H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine?
1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine has a molecular weight of 301.26 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine is sourced from PubChem (CID 171288417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).