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

C16H32N2O2 — CID 106100125

IUPAC2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCCCN1CCC(C(C)NCC2(O)CCOC2C)CC1
InChIInChI=1S/C16H32N2O2/c1-4-8-18-9-5-15(6-10-18)13(2)17-12-16(19)7-11-20-14(16)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyQIDZUZREWVZBMK-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds6

About 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol

2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 106100125) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID106100125
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCCCN1CCC(C(C)NCC2(O)CCOC2C)CC1
InChIInChI=1S/C16H32N2O2/c1-4-8-18-9-5-15(6-10-18)13(2)17-12-16(19)7-11-20-14(16)3/h13-15,17,19H,4-12H2,1-3H3
InChIKeyQIDZUZREWVZBMK-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

Analyze 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol with MolForge

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Related Compounds

2-Methyl-3-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
CID 107270761
1-(4-Methylpentoxy)-3-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 60665848
1-Cyclopentyloxy-3-[(1-ethylpiperidin-4-yl)methylamino]propan-2-ol
CID 61788583
4-[(1-Ethylpiperidin-4-yl)methylamino]oxolan-3-ol
CID 61788761
1-[(1-Ethylpiperidin-4-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 61788765
1-[(1-Ethylpiperidin-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61789146
4-[(1-Methylpiperidin-4-yl)methylamino]oxolan-3-ol
CID 61789691
1-(2-Butoxyethoxy)-3-[(1-methylpiperidin-4-yl)methylamino]propan-2-ol
CID 61790079
1-(4-Methylpentoxy)-3-[(1-methylpiperidin-4-yl)methylamino]propan-2-ol
CID 61790272
4-[(1-Methylpiperidin-3-yl)methylamino]oxolan-3-ol
CID 61799199
4-(Oxan-4-ylmethylamino)oxolan-3-ol
CID 63727528
1-Ethoxy-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63933116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol (CID 106100125) is 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol is CCCN1CCC(C(C)NCC2(O)CCOC2C)CC1.
What is the InChIKey of 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is QIDZUZREWVZBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-8-18-9-5-15(6-10-18)13(2)17-12-16(19)7-11-20-14(16)3/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol?
2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-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 2-methyl-3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).