6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

C17H36N2O — CID 64789152

IUPAC6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCC(C)CC1C
InChIInChI=1S/C17H36N2O/c1-5-10-18-17(4,14-20)9-6-7-11-19-12-8-15(2)13-16(19)3/h15-16,18,20H,5-14H2,1-4H3
InChIKeyHBKCHMCFXDQFQA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds9

About 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol

6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64789152) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64789152
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN1CCC(C)CC1C
InChIInChI=1S/C17H36N2O/c1-5-10-18-17(4,14-20)9-6-7-11-19-12-8-15(2)13-16(19)3/h15-16,18,20H,5-14H2,1-4H3
InChIKeyHBKCHMCFXDQFQA-UHFFFAOYSA-N
XLogP3.03
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 ≤ 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

5-(2,4-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808652
2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64788184
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 62330562
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
2-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)pentan-1-ol
CID 102887298
5-(2,4-dimethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 62429994
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
5-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64790781
2-amino-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64787405
2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597539
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol (CID 64789152) is 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN1CCC(C)CC1C.
What is the InChIKey of 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is HBKCHMCFXDQFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-10-18-17(4,14-20)9-6-7-11-19-12-8-15(2)13-16(19)3/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol?
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64789152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).