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

C16H32N2O2 — CID 81131022

IUPAC4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol
SMILESCCCN1CCC(C(C)NCC2(O)CCOCC2)CC1
InChIInChI=1S/C16H32N2O2/c1-3-8-18-9-4-15(5-10-18)14(2)17-13-16(19)6-11-20-12-7-16/h14-15,17,19H,3-13H2,1-2H3
InChIKeyPLNGMAIIAZBVQW-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds6

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

4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol (PubChem CID 81131022) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol
PubChem CID81131022
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol
SMILESCCCN1CCC(C(C)NCC2(O)CCOCC2)CC1
InChIInChI=1S/C16H32N2O2/c1-3-8-18-9-4-15(5-10-18)14(2)17-13-16(19)6-11-20-12-7-16/h14-15,17,19H,3-13H2,1-2H3
InChIKeyPLNGMAIIAZBVQW-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
CID 106099920
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
CID 116642856
3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106284532
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
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-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-(1-ethylpiperidin-4-yl)-N-[(1-propylcyclopropyl)methyl]ethanamine
CID 114099614
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol (CID 81131022) is 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol is CCCN1CCC(C(C)NCC2(O)CCOCC2)CC1.
What is the InChIKey of 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol?
The InChIKey is PLNGMAIIAZBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-8-18-9-4-15(5-10-18)14(2)17-13-16(19)6-11-20-12-7-16/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol?
4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81131022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).