2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol

C17H37N3O — CID 106808674

IUPAC2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(C)C1CCCN(C)C1)NC(C)C
InChIInChI=1S/C17H37N3O/c1-6-17(14-21,18-15(2)3)10-8-12-20(5)16-9-7-11-19(4)13-16/h15-16,18,21H,6-14H2,1-5H3
InChIKeyJWGUGPHDUKENFM-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.93
Rot. Bonds9

About 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol

2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106808674) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106808674
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCN(C)C1CCCN(C)C1)NC(C)C
InChIInChI=1S/C17H37N3O/c1-6-17(14-21,18-15(2)3)10-8-12-20(5)16-9-7-11-19(4)13-16/h15-16,18,21H,6-14H2,1-5H3
InChIKeyJWGUGPHDUKENFM-UHFFFAOYSA-N
XLogP1.93
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-3-yl)amino]pentan-1-ol
CID 106808673
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
2-ethyl-2-(ethylamino)-5-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 106809124
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851
2-(cyclopropylamino)-2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanenitrile
CID 106803521
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol (CID 106808674) is 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol is CCC(CO)(CCCN(C)C1CCCN(C)C1)NC(C)C.
What is the InChIKey of 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is JWGUGPHDUKENFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-6-17(14-21,18-15(2)3)10-8-12-20(5)16-9-7-11-19(4)13-16/h15-16,18,21H,6-14H2,1-5H3.
What are the key properties of 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol?
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106808674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).