2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol

C17H36N2O — CID 106250980

IUPAC2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
SMILESCCCN1CCC(C(C)NCC(CC)(CC)CO)CC1
InChIInChI=1S/C17H36N2O/c1-5-10-19-11-8-16(9-12-19)15(4)18-13-17(6-2,7-3)14-20/h15-16,18,20H,5-14H2,1-4H3
InChIKeyNYOMPNOTZDSEQY-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.89
Rot. Bonds9

About 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol

2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol (PubChem CID 106250980) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
PubChem CID106250980
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol
SMILESCCCN1CCC(C(C)NCC(CC)(CC)CO)CC1
InChIInChI=1S/C17H36N2O/c1-5-10-19-11-8-16(9-12-19)15(4)18-13-17(6-2,7-3)14-20/h15-16,18,20H,5-14H2,1-4H3
InChIKeyNYOMPNOTZDSEQY-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547
3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106284532
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
CID 113457709
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propane-1,2-diol
CID 66169642

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol (CID 106250980) is 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol is CCCN1CCC(C(C)NCC(CC)(CC)CO)CC1.
What is the InChIKey of 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol?
The InChIKey is NYOMPNOTZDSEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-10-19-11-8-16(9-12-19)15(4)18-13-17(6-2,7-3)14-20/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol?
2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 106250980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).