2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol

C14H23N3O — CID 55189416

IUPAC2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
SMILESC[C@H](N)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C14H23N3O/c1-12(15)13-4-2-3-5-14(13)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11,15H2,1H3/t12-/m0/s1
InChIKeyGSUPHGBQSNIJMB-LBPRGKRZSA-N
MW249.36 g/mol
LogP0.82
Rot. Bonds4

About 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol

2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol (PubChem CID 55189416) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
PubChem CID55189416
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
SMILESC[C@H](N)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C14H23N3O/c1-12(15)13-4-2-3-5-14(13)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11,15H2,1H3/t12-/m0/s1
InChIKeyGSUPHGBQSNIJMB-LBPRGKRZSA-N
XLogP0.82
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368754
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzoic acid
CID 25360108
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
(1S)-1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 55216576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol (CID 55189416) is 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol is C[C@H](N)c1ccccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol?
The InChIKey is GSUPHGBQSNIJMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(15)13-4-2-3-5-14(13)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11,15H2,1H3/t12-/m0/s1.
What are the key properties of 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol?
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 55189416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).