3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol

C15H30N2O2 — CID 106099920

IUPAC3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCCCN1CCC(C(C)NCC2(O)CCOC2)CC1
InChIInChI=1S/C15H30N2O2/c1-3-7-17-8-4-14(5-9-17)13(2)16-11-15(18)6-10-19-12-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeyPVXPEPADAVKNOG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.24
Rot. Bonds6

About 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol

3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 106099920) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID106099920
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCCCN1CCC(C(C)NCC2(O)CCOC2)CC1
InChIInChI=1S/C15H30N2O2/c1-3-7-17-8-4-14(5-9-17)13(2)16-11-15(18)6-10-19-12-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeyPVXPEPADAVKNOG-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131022
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
N-[(3-methoxyoxolan-3-yl)methyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 104759640
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106284532
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
1-(1-ethylpiperidin-4-yl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099614
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
CID 106250980

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol (CID 106099920) is 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol is CCCN1CCC(C(C)NCC2(O)CCOC2)CC1.
What is the InChIKey of 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is PVXPEPADAVKNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-7-17-8-4-14(5-9-17)13(2)16-11-15(18)6-10-19-12-15/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 270.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106099920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).