6-piperazin-1-ylhexane-1,2-diol

C10H22N2O2 — CID 146264990

IUPAC6-piperazin-1-ylhexane-1,2-diol
SMILESOCC(O)CCCCN1CCNCC1
InChIInChI=1S/C10H22N2O2/c13-9-10(14)3-1-2-6-12-7-4-11-5-8-12/h10-11,13-14H,1-9H2
InChIKeyKUULFLHQVFCHQV-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.58
Rot. Bonds6

About 6-piperazin-1-ylhexane-1,2-diol

6-piperazin-1-ylhexane-1,2-diol (PubChem CID 146264990) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-piperazin-1-ylhexane-1,2-diol.

Molecular Properties

Compound Name6-piperazin-1-ylhexane-1,2-diol
PubChem CID146264990
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name6-piperazin-1-ylhexane-1,2-diol
SMILESOCC(O)CCCCN1CCNCC1
InChIInChI=1S/C10H22N2O2/c13-9-10(14)3-1-2-6-12-7-4-11-5-8-12/h10-11,13-14H,1-9H2
InChIKeyKUULFLHQVFCHQV-UHFFFAOYSA-N
XLogP-0.58
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-butyl-7-piperazin-1-ylheptan-1-ol
CID 118890170
1-(8-methylnonyl)piperazine
CID 170614920
6-piperazin-1-yl-2-[2-(trimethyl-λ4-sulfanyl)ethyl]hexan-1-ol
CID 123725712
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
1-piperazin-1-ylheptan-2-ol
CID 70501156
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
dodecane-1,2,11,12-tetrol
CID 71392430
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
azane;2-piperazin-1-ylethanol
CID 23318747
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylhexane-1,2-diol?
The IUPAC name of 6-piperazin-1-ylhexane-1,2-diol (CID 146264990) is 6-piperazin-1-ylhexane-1,2-diol.
What is the SMILES notation for 6-piperazin-1-ylhexane-1,2-diol?
The canonical SMILES for 6-piperazin-1-ylhexane-1,2-diol is OCC(O)CCCCN1CCNCC1.
What is the InChIKey of 6-piperazin-1-ylhexane-1,2-diol?
The InChIKey is KUULFLHQVFCHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c13-9-10(14)3-1-2-6-12-7-4-11-5-8-12/h10-11,13-14H,1-9H2.
What are the key properties of 6-piperazin-1-ylhexane-1,2-diol?
6-piperazin-1-ylhexane-1,2-diol has a molecular weight of 202.30 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylhexane-1,2-diol is sourced from PubChem (CID 146264990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).