1-piperazin-1-ylheptan-2-ol

C11H24N2O — CID 70501156

IUPAC1-piperazin-1-ylheptan-2-ol
SMILESCCCCCC(O)CN1CCNCC1
InChIInChI=1S/C11H24N2O/c1-2-3-4-5-11(14)10-13-8-6-12-7-9-13/h11-12,14H,2-10H2,1H3
InChIKeyGWZPOXDWLVAABN-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds6

About 1-piperazin-1-ylheptan-2-ol

1-piperazin-1-ylheptan-2-ol (PubChem CID 70501156) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-piperazin-1-ylheptan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-ylheptan-2-ol
PubChem CID70501156
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-piperazin-1-ylheptan-2-ol
SMILESCCCCCC(O)CN1CCNCC1
InChIInChI=1S/C11H24N2O/c1-2-3-4-5-11(14)10-13-8-6-12-7-9-13/h11-12,14H,2-10H2,1H3
InChIKeyGWZPOXDWLVAABN-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-1-morpholin-4-ylnonan-2-ol
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(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65449253
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
1-(1,4-diazepan-1-yl)-3-(dibutylamino)propan-2-ol
CID 54773490
1-(ethylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255604
1-methylsulfonyl-3-piperazin-1-ylpropan-2-ol
CID 83708214
1-butan-2-ylsulfanyl-3-piperazin-1-ylpropan-2-ol
CID 65449840
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
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1-(methylamino)-3-piperazin-1-ylpropan-2-ol
CID 15255603

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylheptan-2-ol?
The IUPAC name of 1-piperazin-1-ylheptan-2-ol (CID 70501156) is 1-piperazin-1-ylheptan-2-ol.
What is the SMILES notation for 1-piperazin-1-ylheptan-2-ol?
The canonical SMILES for 1-piperazin-1-ylheptan-2-ol is CCCCCC(O)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylheptan-2-ol?
The InChIKey is GWZPOXDWLVAABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-4-5-11(14)10-13-8-6-12-7-9-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-piperazin-1-ylheptan-2-ol?
1-piperazin-1-ylheptan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylheptan-2-ol is sourced from PubChem (CID 70501156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).