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

C15H30N2O2 — CID 62261041

IUPAC[1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
SMILESCCCNCC1(CN2CCCCC2CO)CCOC1
InChIInChI=1S/C15H30N2O2/c1-2-7-16-11-15(6-9-19-13-15)12-17-8-4-3-5-14(17)10-18/h14,16,18H,2-13H2,1H3
InChIKeyKEUKHZSQOFXAQC-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds7

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

[1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol (PubChem CID 62261041) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
PubChem CID62261041
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name[1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
SMILESCCCNCC1(CN2CCCCC2CO)CCOC1
InChIInChI=1S/C15H30N2O2/c1-2-7-16-11-15(6-9-19-13-15)12-17-8-4-3-5-14(17)10-18/h14,16,18H,2-13H2,1H3
InChIKeyKEUKHZSQOFXAQC-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol (CID 62261041) is [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol is CCCNCC1(CN2CCCCC2CO)CCOC1.
What is the InChIKey of [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is KEUKHZSQOFXAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-7-16-11-15(6-9-19-13-15)12-17-8-4-3-5-14(17)10-18/h14,16,18H,2-13H2,1H3.
What are the key properties of [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol?
[1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62261041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).