1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol

C17H36N2O — CID 106837835

IUPAC1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
SMILESCCC(C)(CNC(C)(C)C)CN1CCC(C(C)O)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(6,12-18-16(3,4)5)13-19-10-8-15(9-11-19)14(2)20/h14-15,18,20H,7-13H2,1-6H3
InChIKeySONRDDHZKMYFRS-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.88
Rot. Bonds6

About 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol

1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol (PubChem CID 106837835) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
PubChem CID106837835
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
SMILESCCC(C)(CNC(C)(C)C)CN1CCC(C(C)O)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(6,12-18-16(3,4)5)13-19-10-8-15(9-11-19)14(2)20/h14-15,18,20H,7-13H2,1-6H3
InChIKeySONRDDHZKMYFRS-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021
N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 62258109
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 103935797
N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
CID 106837734
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152
2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62259874

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol (CID 106837835) is 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol is CCC(C)(CNC(C)(C)C)CN1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol?
The InChIKey is SONRDDHZKMYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(6,12-18-16(3,4)5)13-19-10-8-15(9-11-19)14(2)20/h14-15,18,20H,7-13H2,1-6H3.
What are the key properties of 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol?
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol has a molecular weight of 284.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).