1-hexylpiperazine-2,3-diol

C10H22N2O2 — CID 174792738

IUPAC1-hexylpiperazine-2,3-diol
SMILESCCCCCCN1CCNC(O)C1O
InChIInChI=1S/C10H22N2O2/c1-2-3-4-5-7-12-8-6-11-9(13)10(12)14/h9-11,13-14H,2-8H2,1H3
InChIKeySGCTVQYWHOUHGR-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.11
Rot. Bonds5

About 1-hexylpiperazine-2,3-diol

1-hexylpiperazine-2,3-diol (PubChem CID 174792738) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-hexylpiperazine-2,3-diol.

Molecular Properties

Compound Name1-hexylpiperazine-2,3-diol
PubChem CID174792738
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-hexylpiperazine-2,3-diol
SMILESCCCCCCN1CCNC(O)C1O
InChIInChI=1S/C10H22N2O2/c1-2-3-4-5-7-12-8-6-11-9(13)10(12)14/h9-11,13-14H,2-8H2,1H3
InChIKeySGCTVQYWHOUHGR-UHFFFAOYSA-N
XLogP0.11
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hexylpiperazine-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanol;2-methyl-1-nonylpiperazine
CID 144711987
(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
1-hexyl-7-methyl-1,4-diazepane
CID 64870586
2-(2-heptadecylimidazolidin-1-yl)acetic acid
CID 70577882
2-(1-octadecylpiperazin-2-yl)ethane-1,1-diol
CID 22483611
1,2-didodecyl-1,3-diazinane
CID 70559928
1-heptyl-2-methylaziridine
CID 142378837
1,2-dipentyl-1,3-diazinane
CID 67611094
1-ethyl-N-octadecylimidazolidin-2-amine
CID 174484158
3,7-dimethyl-1-octyl-1,4-diazepane
CID 64870958
heptadecyl 2-[1-(2-aminoethyl)imidazolidin-2-yl]acetate
CID 54081855
2-(1-heptylpiperazin-2-yl)acetaldehyde
CID 54004114

Frequently Asked Questions

What is the IUPAC name of 1-hexylpiperazine-2,3-diol?
The IUPAC name of 1-hexylpiperazine-2,3-diol (CID 174792738) is 1-hexylpiperazine-2,3-diol.
What is the SMILES notation for 1-hexylpiperazine-2,3-diol?
The canonical SMILES for 1-hexylpiperazine-2,3-diol is CCCCCCN1CCNC(O)C1O.
What is the InChIKey of 1-hexylpiperazine-2,3-diol?
The InChIKey is SGCTVQYWHOUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-2-3-4-5-7-12-8-6-11-9(13)10(12)14/h9-11,13-14H,2-8H2,1H3.
What are the key properties of 1-hexylpiperazine-2,3-diol?
1-hexylpiperazine-2,3-diol has a molecular weight of 202.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpiperazine-2,3-diol is sourced from PubChem (CID 174792738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).