1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine

C17H28N2O — CID 95480430

IUPAC1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
SMILESCC[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-5-16(19-10-8-18-9-11-19)15-12-14(13(2)3)6-7-17(15)20-4/h6-7,12-13,16,18H,5,8-11H2,1-4H3/t16-/m1/s1
InChIKeyPYWZBROPICTNSV-MRXNPFEDSA-N
MW276.42 g/mol
LogP3.17
Rot. Bonds5

About 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine (PubChem CID 95480430) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
PubChem CID95480430
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine
SMILESCC[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1
InChIInChI=1S/C17H28N2O/c1-5-16(19-10-8-18-9-11-19)15-12-14(13(2)3)6-7-17(15)20-4/h6-7,12-13,16,18H,5,8-11H2,1-4H3/t16-/m1/s1
InChIKeyPYWZBROPICTNSV-MRXNPFEDSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
CID 171308476
(3R)-3-(2-methoxy-5-propan-2-ylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171307198
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304943
1-[(1S)-1-(2-methoxy-5-propan-2-ylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171284240
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296852
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine
CID 28798806
1-[(1S)-2,2-difluoro-1-(2-methoxy-5-propan-2-ylphenyl)ethyl]piperazine;dihydrochloride
CID 171296858
1-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperazine;dihydrochloride
CID 171282575
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171168816
1-[(R)-cyclobutyl-(2-methoxy-5-propan-2-ylphenyl)methyl]piperazine;dihydrochloride
CID 171296863

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine (CID 95480430) is 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine is CC[C@H](c1cc(C(C)C)ccc1OC)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine?
The InChIKey is PYWZBROPICTNSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-16(19-10-8-18-9-11-19)15-12-14(13(2)3)6-7-17(15)20-4/h6-7,12-13,16,18H,5,8-11H2,1-4H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine?
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)propyl]piperazine is sourced from PubChem (CID 95480430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).