1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine

C17H26N2O — CID 95477475

IUPAC1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
SMILESCC(C)Oc1ccc([C@H](C2CC2)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)20-16-7-5-15(6-8-16)17(14-3-4-14)19-11-9-18-10-12-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3/t17-/m0/s1
InChIKeyGUZMEWUQIIHVSX-KRWDZBQOSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds5

About 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine

1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine (PubChem CID 95477475) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
PubChem CID95477475
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
SMILESCC(C)Oc1ccc([C@H](C2CC2)N2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)20-16-7-5-15(6-8-16)17(14-3-4-14)19-11-9-18-10-12-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3/t17-/m0/s1
InChIKeyGUZMEWUQIIHVSX-KRWDZBQOSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872
1-[(R)-cyclopropyl-(4-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171286878
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
CID 82301889
1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(R)-[4-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171290879
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
1-[(1R)-2-fluoro-1-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 171182676
1-[(S)-cyclobutyl-(4-phenoxyphenyl)methyl]piperazine
CID 171279707
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine (CID 95477475) is 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine is CC(C)Oc1ccc([C@H](C2CC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine?
The InChIKey is GUZMEWUQIIHVSX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)20-16-7-5-15(6-8-16)17(14-3-4-14)19-11-9-18-10-12-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine?
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine is sourced from PubChem (CID 95477475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).