3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol

C17H36N2O — CID 106284532

IUPAC3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
SMILESCCCN1CCC(C(C)NCC(O)C(CC)CC)CC1
InChIInChI=1S/C17H36N2O/c1-5-10-19-11-8-16(9-12-19)14(4)18-13-17(20)15(6-2)7-3/h14-18,20H,5-13H2,1-4H3
InChIKeyAOPUSYUNKVVZTA-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.88
Rot. Bonds9

About 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol

3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol (PubChem CID 106284532) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
PubChem CID106284532
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
SMILESCCCN1CCC(C(C)NCC(O)C(CC)CC)CC1
InChIInChI=1S/C17H36N2O/c1-5-10-19-11-8-16(9-12-19)14(4)18-13-17(20)15(6-2)7-3/h14-18,20H,5-13H2,1-4H3
InChIKeyAOPUSYUNKVVZTA-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 62993376
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
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
N-[1-(1-propylpiperidin-4-yl)ethyl]pent-3-yn-1-amine
CID 116642856
4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131022
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
3-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]oxolan-3-ol
CID 106099920
7-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 43308547

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol (CID 106284532) is 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol is CCCN1CCC(C(C)NCC(O)C(CC)CC)CC1.
What is the InChIKey of 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol?
The InChIKey is AOPUSYUNKVVZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-10-19-11-8-16(9-12-19)14(4)18-13-17(20)15(6-2)7-3/h14-18,20H,5-13H2,1-4H3.
What are the key properties of 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol?
3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol has a molecular weight of 284.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol is sourced from PubChem (CID 106284532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).