1,1-di(piperidin-1-yl)propane-1,2-diol

C13H26N2O2 — CID 160607046

IUPAC1,1-di(piperidin-1-yl)propane-1,2-diol
SMILESCC(O)C(O)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(16)13(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,16-17H,2-11H2,1H3
InChIKeyREZXCZGXHOTCAV-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds3

About 1,1-di(piperidin-1-yl)propane-1,2-diol

1,1-di(piperidin-1-yl)propane-1,2-diol (PubChem CID 160607046) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1,1-di(piperidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name1,1-di(piperidin-1-yl)propane-1,2-diol
PubChem CID160607046
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1,1-di(piperidin-1-yl)propane-1,2-diol
SMILESCC(O)C(O)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-12(16)13(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,16-17H,2-11H2,1H3
InChIKeyREZXCZGXHOTCAV-UHFFFAOYSA-N
XLogP0.99
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 178155883
CID 178155883
2-methyl-2-piperidin-1-ylhexan-3-ol
CID 79045077
(1S)-1-piperidin-1-ylethanol
CID 86312531
2-(azepan-1-yl)-2,4-dimethylpentanoic acid
CID 61057943
3-methyl-2-piperidin-1-ylbutan-2-amine
CID 70117751
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
2,5-dimethyl-2-pyrrolidin-1-ylhexan-3-ol
CID 79056027
2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
CID 79052130
3,5-dimethyl-3-piperidin-1-ylheptan-4-ol
CID 79445766
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 82932578
2,5-dimethyl-5-piperidin-1-ylheptan-4-one
CID 79064976

Frequently Asked Questions

What is the IUPAC name of 1,1-di(piperidin-1-yl)propane-1,2-diol?
The IUPAC name of 1,1-di(piperidin-1-yl)propane-1,2-diol (CID 160607046) is 1,1-di(piperidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 1,1-di(piperidin-1-yl)propane-1,2-diol?
The canonical SMILES for 1,1-di(piperidin-1-yl)propane-1,2-diol is CC(O)C(O)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1,1-di(piperidin-1-yl)propane-1,2-diol?
The InChIKey is REZXCZGXHOTCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(16)13(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,16-17H,2-11H2,1H3.
What are the key properties of 1,1-di(piperidin-1-yl)propane-1,2-diol?
1,1-di(piperidin-1-yl)propane-1,2-diol has a molecular weight of 242.36 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(piperidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 160607046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).