2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol

C18H38N2O — CID 107228972

IUPAC2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
SMILESCCC(CC)(CNCC(C)C)CN1CCCC(CCO)C1
InChIInChI=1S/C18H38N2O/c1-5-18(6-2,14-19-12-16(3)4)15-20-10-7-8-17(13-20)9-11-21/h16-17,19,21H,5-15H2,1-4H3
InChIKeyPOOPRIHBAHADJK-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.13
Rot. Bonds10

About 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol

2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol (PubChem CID 107228972) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
PubChem CID107228972
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
SMILESCCC(CC)(CNCC(C)C)CN1CCCC(CCO)C1
InChIInChI=1S/C18H38N2O/c1-5-18(6-2,14-19-12-16(3)4)15-20-10-7-8-17(13-20)9-11-21/h16-17,19,21H,5-15H2,1-4H3
InChIKeyPOOPRIHBAHADJK-UHFFFAOYSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
CID 107229026
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
CID 107228852
2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine
CID 55051897
1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-4-ol
CID 62263890
2-[(3,4-dimethylpiperazin-1-yl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63635481
2-[1-[2,2-dimethyl-3-(methylamino)butyl]piperidin-3-yl]ethanol
CID 107228991
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
[1-[2-ethyl-2-(methylaminomethyl)butyl]pyrrolidin-3-yl]methanol
CID 112629064

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol (CID 107228972) is 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol is CCC(CC)(CNCC(C)C)CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
The InChIKey is POOPRIHBAHADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-18(6-2,14-19-12-16(3)4)15-20-10-7-8-17(13-20)9-11-21/h16-17,19,21H,5-15H2,1-4H3.
What are the key properties of 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol has a molecular weight of 298.51 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).