[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol

C17H34N2O2 — CID 63740868

IUPAC[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
SMILESCC(C)(C)NCC1(CN2CCCCC2CO)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(8-6-10-21-14-17)13-19-9-5-4-7-15(19)11-20/h15,18,20H,4-14H2,1-3H3
InChIKeySKBNUUBUQMVLLH-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds5

About [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol

[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol (PubChem CID 63740868) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
PubChem CID63740868
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
SMILESCC(C)(C)NCC1(CN2CCCCC2CO)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(8-6-10-21-14-17)13-19-9-5-4-7-15(19)11-20/h15,18,20H,4-14H2,1-3H3
InChIKeySKBNUUBUQMVLLH-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 62260834
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
CID 116638187
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741247
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741713
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol (CID 63740868) is [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol is CC(C)(C)NCC1(CN2CCCCC2CO)CCCOC1.
What is the InChIKey of [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is SKBNUUBUQMVLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,3)18-12-17(8-6-10-21-14-17)13-19-9-5-4-7-15(19)11-20/h15,18,20H,4-14H2,1-3H3.
What are the key properties of [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol?
[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 63740868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).