(1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol

C9H16N2O — CID 91463027

IUPAC(1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol
SMILESC=C=C(C)N1CCNCC1CO
InChIInChI=1S/C9H16N2O/c1-3-8(2)11-5-4-10-6-9(11)7-12/h9-10,12H,1,4-7H2,2H3
InChIKeyGCOTZKRUVYOMSF-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.06
Rot. Bonds2

About (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol

(1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol (PubChem CID 91463027) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol.

Molecular Properties

Compound Name(1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol
PubChem CID91463027
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol
SMILESC=C=C(C)N1CCNCC1CO
InChIInChI=1S/C9H16N2O/c1-3-8(2)11-5-4-10-6-9(11)7-12/h9-10,12H,1,4-7H2,2H3
InChIKeyGCOTZKRUVYOMSF-UHFFFAOYSA-N
XLogP-0.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Methylpiperazin-2-yl)methanol
CID 12793177
[(2S)-4-methylpiperazin-2-yl]methanol
CID 45087437
2-[(2R,6S)-2,6-dimethylpiperazin-1-yl]ethan-1-ol
CID 93500290
(1-Methylpiperazin-2-yl)methanol
CID 14747409
3-(3-Methylpiperazin-1-yl)propan-1-ol
CID 233349
2-(2,5-Dimethylpiperazin-1-yl)ethanol
CID 258304
[4-(2-Fluoropropan-2-yl)piperazin-2-yl]methanol
CID 84073023
3-(3,5-Dimethylpiperazin-1-yl)propan-1-ol
CID 13207834
3-[(3R,5S)-3,5-Dimethylpiperazin-1-YL]propan-1-OL
CID 13207835
2-(2,3-Dimethylpiperazin-1-yl)ethanol
CID 14324885
2-(3,5-Dimethyl-1-piperazinyl)ethanol, AldrichCPR
CID 14324889
2-(2,3,5,6-Tetramethylpiperazin-1-yl)ethanol
CID 14324890

Frequently Asked Questions

What is the IUPAC name of (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol?
The IUPAC name of (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol (CID 91463027) is (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol.
What is the SMILES notation for (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol?
The canonical SMILES for (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol is C=C=C(C)N1CCNCC1CO.
What is the InChIKey of (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol?
The InChIKey is GCOTZKRUVYOMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8(2)11-5-4-10-6-9(11)7-12/h9-10,12H,1,4-7H2,2H3.
What are the key properties of (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol?
(1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-buta-2,3-dien-2-ylpiperazin-2-yl)methanol is sourced from PubChem (CID 91463027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).