2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol

C14H28N2O2 — CID 107228855

IUPAC2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
SMILESCNCC1(CN2CCCC(CCO)C2)CCOC1
InChIInChI=1S/C14H28N2O2/c1-15-10-14(5-8-18-12-14)11-16-6-2-3-13(9-16)4-7-17/h13,15,17H,2-12H2,1H3
InChIKeyOQOMDCSUOHQWNM-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.71
Rot. Bonds6

About 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol

2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol (PubChem CID 107228855) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
PubChem CID107228855
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
SMILESCNCC1(CN2CCCC(CCO)C2)CCOC1
InChIInChI=1S/C14H28N2O2/c1-15-10-14(5-8-18-12-14)11-16-6-2-3-13(9-16)4-7-17/h13,15,17H,2-12H2,1H3
InChIKeyOQOMDCSUOHQWNM-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-4-yl]-N-methylmethanamine
CID 106588972
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 113336168
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 62256682
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114800136
2-[1-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228887
2-[4-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226535
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine
CID 114238073
1-[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 63635835
N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine
CID 63741775

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol (CID 107228855) is 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol is CNCC1(CN2CCCC(CCO)C2)CCOC1.
What is the InChIKey of 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol?
The InChIKey is OQOMDCSUOHQWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-15-10-14(5-8-18-12-14)11-16-6-2-3-13(9-16)4-7-17/h13,15,17H,2-12H2,1H3.
What are the key properties of 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol?
2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol has a molecular weight of 256.39 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).