6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol

C17H37N3O — CID 64825533

IUPAC6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C17H37N3O/c1-5-18-17(2,15-21)10-6-7-11-20-12-8-16(9-13-20)14-19(3)4/h16,18,21H,5-15H2,1-4H3
InChIKeyHUJGLMFETCQYAF-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.79
Rot. Bonds10

About 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol

6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64825533) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64825533
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C17H37N3O/c1-5-18-17(2,15-21)10-6-7-11-20-12-8-16(9-13-20)14-19(3)4/h16,18,21H,5-15H2,1-4H3
InChIKeyHUJGLMFETCQYAF-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64796428
6-(azocan-1-yl)-2-(ethylamino)-2-methylhexan-1-ol
CID 64796025
2-methyl-2-(propylamino)-6-(4-propylpiperidin-1-yl)hexan-1-ol
CID 64786450
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64827442
2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentan-1-ol
CID 64788799
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64791463
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 64828332
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylbutan-1-ol
CID 64791718
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 64828333
2-(ethylamino)-2-methyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 64787059

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol (CID 64825533) is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCN1CCC(CN(C)C)CC1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is HUJGLMFETCQYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-5-18-17(2,15-21)10-6-7-11-20-12-8-16(9-13-20)14-19(3)4/h16,18,21H,5-15H2,1-4H3.
What are the key properties of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol?
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64825533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).