[1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol

C14H28N2O2 — CID 62261040

IUPAC[1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
SMILESCCNCC1(CN2CCCCC2CO)CCOC1
InChIInChI=1S/C14H28N2O2/c1-2-15-10-14(6-8-18-12-14)11-16-7-4-3-5-13(16)9-17/h13,15,17H,2-12H2,1H3
InChIKeyQMUQBSRVUWYWQF-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.85
Rot. Bonds6

About [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol

[1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol (PubChem CID 62261040) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
PubChem CID62261040
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name[1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
SMILESCCNCC1(CN2CCCCC2CO)CCOC1
InChIInChI=1S/C14H28N2O2/c1-2-15-10-14(6-8-18-12-14)11-16-7-4-3-5-13(16)9-17/h13,15,17H,2-12H2,1H3
InChIKeyQMUQBSRVUWYWQF-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol (CID 62261040) is [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol is CCNCC1(CN2CCCCC2CO)CCOC1.
What is the InChIKey of [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is QMUQBSRVUWYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-15-10-14(6-8-18-12-14)11-16-7-4-3-5-13(16)9-17/h13,15,17H,2-12H2,1H3.
What are the key properties of [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
[1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62261040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).