(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol

C13H20N2O — CID 92978714

IUPAC(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C13H20N2O/c1-11(16)13-10-15(8-7-14-13)9-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyAEFZVMAENDWYTI-AAEUAGOBSA-N
MW220.32 g/mol
LogP0.84
Rot. Bonds3

About (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol

(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol (PubChem CID 92978714) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
PubChem CID92978714
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol
SMILESC[C@H](O)[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C13H20N2O/c1-11(16)13-10-15(8-7-14-13)9-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyAEFZVMAENDWYTI-AAEUAGOBSA-N
XLogP0.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639
4-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid
CID 45073220
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210
tert-butyl N-[2-(4-benzylpiperazin-2-yl)propyl]carbamate
CID 82667865
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
3-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64831824
2-(4-benzylpiperazin-2-yl)propan-2-ol
CID 15087796
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol (CID 92978714) is (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol is C[C@H](O)[C@@H]1CN(Cc2ccccc2)CCN1.
What is the InChIKey of (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol?
The InChIKey is AEFZVMAENDWYTI-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(16)13-10-15(8-7-14-13)9-12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol?
(1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-4-benzylpiperazin-2-yl]ethanol is sourced from PubChem (CID 92978714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).