6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

C17H36N2O — CID 64796258

IUPAC6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CC(C)CC(C)C1
InChIInChI=1S/C17H36N2O/c1-5-9-18-17(4,14-20)8-6-7-10-19-12-15(2)11-16(3)13-19/h15-16,18,20H,5-14H2,1-4H3
InChIKeyDSOAZUWFMCSRDR-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.89
Rot. Bonds9

About 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64796258) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64796258
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CC(C)CC(C)C1
InChIInChI=1S/C17H36N2O/c1-5-9-18-17(4,14-20)8-6-7-10-19-12-15(2)11-16(3)13-19/h15-16,18,20H,5-14H2,1-4H3
InChIKeyDSOAZUWFMCSRDR-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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789152
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
2-(cyclopropylamino)-5-(3,5-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64798617
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597539
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
6-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789156
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
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
CID 55070235

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64796258) is 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN1CC(C)CC(C)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is DSOAZUWFMCSRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-9-18-17(4,14-20)8-6-7-10-19-12-15(2)11-16(3)13-19/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-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 6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64796258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).