1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol

C14H30N4O4 — CID 70614432

IUPAC1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol
SMILESOC(CCC(O)C(O)N1CCNCC1)C(O)N1CCNCC1
InChIInChI=1S/C14H30N4O4/c19-11(13(21)17-7-3-15-4-8-17)1-2-12(20)14(22)18-9-5-16-6-10-18/h11-16,19-22H,1-10H2
InChIKeyLKHVZWUNGJXPER-UHFFFAOYSA-N
MW318.42 g/mol
LogP-3.06
Rot. Bonds7

About 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol

1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol (PubChem CID 70614432) has the molecular formula C14H30N4O4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol.

Molecular Properties

Compound Name1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol
PubChem CID70614432
Molecular FormulaC14H30N4O4
Molecular Weight318.42 g/mol
Exact Mass318.23
IUPAC Name1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol
SMILESOC(CCC(O)C(O)N1CCNCC1)C(O)N1CCNCC1
InChIInChI=1S/C14H30N4O4/c19-11(13(21)17-7-3-15-4-8-17)1-2-12(20)14(22)18-9-5-16-6-10-18/h11-16,19-22H,1-10H2
InChIKeyLKHVZWUNGJXPER-UHFFFAOYSA-N
XLogP-3.06
TPSA111.46 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 5-3.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
CID 163688577
3-piperazin-1-ylbutane-1,2-diol
CID 163627415
(2S)-3-[4-[(3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]butane-1,2,4-triol;tetrahydrochloride
CID 175675084
(2R,3S)-3-(1,4,7,10-tetrazacyclododec-1-yl)butane-1,2,4-triol;tetrahydrochloride
CID 169490742
methoxy(piperazin-1-yl)methanol
CID 154545795
1-piperazin-1-ylprop-2-en-1-ol
CID 66821299
1-(1,4-diazepan-1-yl)propan-1-ol
CID 70607073
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
4-methyl-3-piperazin-1-ylpentan-1-ol
CID 83817608
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
4-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 141116403

Frequently Asked Questions

What is the IUPAC name of 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol?
The IUPAC name of 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol (CID 70614432) is 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol.
What is the SMILES notation for 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol?
The canonical SMILES for 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol is OC(CCC(O)C(O)N1CCNCC1)C(O)N1CCNCC1.
What is the InChIKey of 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol?
The InChIKey is LKHVZWUNGJXPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O4/c19-11(13(21)17-7-3-15-4-8-17)1-2-12(20)14(22)18-9-5-16-6-10-18/h11-16,19-22H,1-10H2.
What are the key properties of 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol?
1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol has a molecular weight of 318.42 g/mol, XLogP of -3.06, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(piperazin-1-yl)hexane-1,2,5,6-tetrol is sourced from PubChem (CID 70614432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).