1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride

C17H28Cl2N2 — CID 171286878

IUPAC1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
SMILESCC(C)c1ccc([C@@H](C2CC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N2.2ClH/c1-13(2)14-3-5-15(6-4-14)17(16-7-8-16)19-11-9-18-10-12-19;;/h3-6,13,16-18H,7-12H2,1-2H3;2*1H/t17-;;/m0../s1
InChIKeyHLVQWQFRISWFRY-RMRYJAPISA-N
MW331.33 g/mol
LogP4.01
Rot. Bonds4

About 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride (PubChem CID 171286878) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
PubChem CID171286878
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC Name1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
SMILESCC(C)c1ccc([C@@H](C2CC2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C17H26N2.2ClH/c1-13(2)14-3-5-15(6-4-14)17(16-7-8-16)19-11-9-18-10-12-19;;/h3-6,13,16-18H,7-12H2,1-2H3;2*1H/t17-;;/m0../s1
InChIKeyHLVQWQFRISWFRY-RMRYJAPISA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(S)-(4-chlorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
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1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
1-[(S)-cyclopropyl-[4-(trifluoromethylsulfanyl)phenyl]methyl]piperazine;dihydrochloride
CID 171278996
1-[(S)-cyclohexyl-(4-methylsulfanylphenyl)methyl]piperazine;dihydrochloride
CID 171281956
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride (CID 171286878) is 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride is CC(C)c1ccc([C@@H](C2CC2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
The InChIKey is HLVQWQFRISWFRY-RMRYJAPISA-N. The full InChI is InChI=1S/C17H26N2.2ClH/c1-13(2)14-3-5-15(6-4-14)17(16-7-8-16)19-11-9-18-10-12-19;;/h3-6,13,16-18H,7-12H2,1-2H3;2*1H/t17-;;/m0../s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride has a molecular weight of 331.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171286878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).