1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine

C16H26N2O — CID 171277911

IUPAC1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
SMILESCCC[C@@H](c1cccc(OCC)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-6-16(18-11-9-17-10-12-18)14-7-5-8-15(13-14)19-4-2/h5,7-8,13,16-17H,3-4,6,9-12H2,1-2H3/t16-/m0/s1
InChIKeyXCUKMYOTMJLPQN-INIZCTEOSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds6

About 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine

1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine (PubChem CID 171277911) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
PubChem CID171277911
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
SMILESCCC[C@@H](c1cccc(OCC)c1)N1CCNCC1
InChIInChI=1S/C16H26N2O/c1-3-6-16(18-11-9-17-10-12-18)14-7-5-8-15(13-14)19-4-2/h5,7-8,13,16-17H,3-4,6,9-12H2,1-2H3/t16-/m0/s1
InChIKeyXCUKMYOTMJLPQN-INIZCTEOSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
2-(1,4-diazepan-1-yl)-2-(3-ethoxyphenyl)ethanol
CID 61048843
[3-[(1S)-1-piperazin-1-ylbutyl]phenyl] acetate;dihydrochloride
CID 171280252
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1R)-1-(3-phenylphenyl)butyl]piperazine
CID 171295754
1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
CID 171179653
1-[(1S)-1-(3-phenylphenyl)butyl]piperazine;dihydrochloride
CID 171283135
3-[(1R)-1-piperazin-1-ylbutyl]benzonitrile
CID 171287624
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)butyl]piperazine
CID 171293533

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine (CID 171277911) is 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine is CCC[C@@H](c1cccc(OCC)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine?
The InChIKey is XCUKMYOTMJLPQN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-6-16(18-11-9-17-10-12-18)14-7-5-8-15(13-14)19-4-2/h5,7-8,13,16-17H,3-4,6,9-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine?
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine is sourced from PubChem (CID 171277911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).