3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol

C16H32N2O2 — CID 114682063

IUPAC3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
SMILESCC(C)NCC1(CN2CCC(O)C(C)C2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-13(2)17-10-16(6-4-8-20-12-16)11-18-7-5-15(19)14(3)9-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyADFATHHXBSHXFU-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.48
Rot. Bonds5

About 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol

3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol (PubChem CID 114682063) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
PubChem CID114682063
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
SMILESCC(C)NCC1(CN2CCC(O)C(C)C2)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-13(2)17-10-16(6-4-8-20-12-16)11-18-7-5-15(19)14(3)9-18/h13-15,17,19H,4-12H2,1-3H3
InChIKeyADFATHHXBSHXFU-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

Ethane;2-(methoxymethyl)-3-(methylamino)propan-1-ol;3,3,5,5-tetrakis(hydroxymethyl)-1-methylpiperidin-4-ol
CID 143162247
1-(1-Piperidin-4-ylpiperidin-4-yl)propan-2-ol;propan-2-ol
CID 164865480
[1-[2-Methyl-2-(propylaminomethyl)pentyl]piperidin-3-yl]methanol
CID 55051603
[1-[2-Methyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]methanol
CID 55051748
[1-[[4-(Ethylaminomethyl)oxan-4-yl]methyl]piperidin-3-yl]methanol
CID 55065891
1-[[4-(Ethylaminomethyl)oxan-4-yl]methyl]piperidin-4-ol
CID 55065941
[1-[[3-(Methylaminomethyl)oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 55241279
1-[[3-[(Cyclopropylamino)methyl]oxan-3-yl]methyl]piperidin-3-ol
CID 55241280
[1-[[3-(Ethylaminomethyl)oxan-3-yl]methyl]piperidin-4-yl]methanol
CID 55242426
[1-[[3-(Aminomethyl)oxan-3-yl]methyl]piperidin-3-yl]methanol
CID 55242427
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 55242621
1-[[3-[(Cyclopropylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 55242622

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol (CID 114682063) is 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol is CC(C)NCC1(CN2CCC(O)C(C)C2)CCCOC1.
What is the InChIKey of 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol?
The InChIKey is ADFATHHXBSHXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)17-10-16(6-4-8-20-12-16)11-18-7-5-15(19)14(3)9-18/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol?
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol has a molecular weight of 284.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 114682063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).