5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol

C17H37N3O — CID 106809696

IUPAC5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN1CCCC(N(C)C)C1
InChIInChI=1S/C17H37N3O/c1-5-11-18-17(6-2,15-21)10-8-13-20-12-7-9-16(14-20)19(3)4/h16,18,21H,5-15H2,1-4H3
InChIKeyAKHOZFAACYRUQE-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds10

About 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol

5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol (PubChem CID 106809696) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol
PubChem CID106809696
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN1CCCC(N(C)C)C1
InChIInChI=1S/C17H37N3O/c1-5-11-18-17(6-2,15-21)10-8-13-20-12-7-9-16(14-20)19(3)4/h16,18,21H,5-15H2,1-4H3
InChIKeyAKHOZFAACYRUQE-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809795
2-ethyl-5-(2-methylmorpholin-4-yl)-2-(propylamino)pentan-1-ol
CID 106809096
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809351
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106808975
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106809191
2-ethyl-5-(2-ethylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 106809860
5-(2,4-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808652
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673
2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 106809926
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808716
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol (CID 106809696) is 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCN1CCCC(N(C)C)C1.
What is the InChIKey of 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol?
The InChIKey is AKHOZFAACYRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-11-18-17(6-2,15-21)10-8-13-20-12-7-9-16(14-20)19(3)4/h16,18,21H,5-15H2,1-4H3.
What are the key properties of 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol?
5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106809696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).