2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol

C14H29NO2 — CID 107229026

IUPAC2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN1CCCC(CCO)C1
InChIInChI=1S/C14H29NO2/c1-3-14(4-2,12-17)11-15-8-5-6-13(10-15)7-9-16/h13,16-17H,3-12H2,1-2H3
InChIKeyNRDMHGXJXWMWMV-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.88
Rot. Bonds7

About 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol

2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol (PubChem CID 107229026) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
PubChem CID107229026
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
SMILESCCC(CC)(CO)CN1CCCC(CCO)C1
InChIInChI=1S/C14H29NO2/c1-3-14(4-2,12-17)11-15-8-5-6-13(10-15)7-9-16/h13,16-17H,3-12H2,1-2H3
InChIKeyNRDMHGXJXWMWMV-UHFFFAOYSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
CID 107228972
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
CID 107228991
2-ethyl-2-[(3-propylazetidin-1-yl)methyl]butan-1-ol
CID 106253839
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64795789
2-ethyl-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]butan-1-ol
CID 62272730
2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylbutanal
CID 114800024
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
2-[1-(2-ethylhexyl)piperidin-3-yl]ethanol
CID 55064618

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol (CID 107229026) is 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol is CCC(CC)(CO)CN1CCCC(CCO)C1.
What is the InChIKey of 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol?
The InChIKey is NRDMHGXJXWMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-14(4-2,12-17)11-15-8-5-6-13(10-15)7-9-16/h13,16-17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol?
2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol is sourced from PubChem (CID 107229026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).