2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol

C14H30N2O — CID 107228991

IUPAC2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
SMILESCNC(C)C(C)(C)CN1CCCC(CCO)C1
InChIInChI=1S/C14H30N2O/c1-12(15-4)14(2,3)11-16-8-5-6-13(10-16)7-9-17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyRIGNZHIUGCLECU-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.71
Rot. Bonds6

About 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol

2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol (PubChem CID 107228991) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
PubChem CID107228991
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
SMILESCNC(C)C(C)(C)CN1CCCC(CCO)C1
InChIInChI=1S/C14H30N2O/c1-12(15-4)14(2,3)11-16-8-5-6-13(10-16)7-9-17/h12-13,15,17H,5-11H2,1-4H3
InChIKeyRIGNZHIUGCLECU-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol (CID 107228991) is 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol is CNC(C)C(C)(C)CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol?
The InChIKey is RIGNZHIUGCLECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(15-4)14(2,3)11-16-8-5-6-13(10-16)7-9-17/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol?
2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol has a molecular weight of 242.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).