2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol

C13H27N3O — CID 114235692

IUPAC2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol
SMILESCC1(C)CNCCC1N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3O/c1-13(2)11-14-4-3-12(13)16-7-5-15(6-8-16)9-10-17/h12,14,17H,3-11H2,1-2H3
InChIKeyOKRXFNLIUIZXFQ-UHFFFAOYSA-N
MW241.38 g/mol
LogP-0.02
Rot. Bonds3

About 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol

2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 114235692) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol
PubChem CID114235692
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol
SMILESCC1(C)CNCCC1N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3O/c1-13(2)11-14-4-3-12(13)16-7-5-15(6-8-16)9-10-17/h12,14,17H,3-11H2,1-2H3
InChIKeyOKRXFNLIUIZXFQ-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol (CID 114235692) is 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol is CC1(C)CNCCC1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is OKRXFNLIUIZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2)11-14-4-3-12(13)16-7-5-15(6-8-16)9-10-17/h12,14,17H,3-11H2,1-2H3.
What are the key properties of 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 241.38 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylpiperidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 114235692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).