6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

C17H36N2O — CID 64795564

IUPAC6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCCC(CC)C1
InChIInChI=1S/C17H36N2O/c1-4-11-18-17(3,15-20)10-6-7-12-19-13-8-9-16(5-2)14-19/h16,18,20H,4-15H2,1-3H3
InChIKeyFQMPTLSFTBZIPF-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds10

About 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64795564) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64795564
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCCC(CC)C1
InChIInChI=1S/C17H36N2O/c1-4-11-18-17(3,15-20)10-6-7-12-19-13-8-9-16(5-2)14-19/h16,18,20H,4-15H2,1-3H3
InChIKeyFQMPTLSFTBZIPF-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
5-(3-ethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797909
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
5-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790781
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
3-ethyl-1-heptylpiperidine
CID 171569576
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64795564) is 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN1CCCC(CC)C1.
What is the InChIKey of 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is FQMPTLSFTBZIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-11-18-17(3,15-20)10-6-7-12-19-13-8-9-16(5-2)14-19/h16,18,20H,4-15H2,1-3H3.
What are the key properties of 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64795564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).