1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol

C16H34N2O — CID 64818942

IUPAC1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
SMILESCCC1(CC)CCN(CCCCC(C)(O)CN)CC1
InChIInChI=1S/C16H34N2O/c1-4-16(5-2)9-12-18(13-10-16)11-7-6-8-15(3,19)14-17/h19H,4-14,17H2,1-3H3
InChIKeyLXFQSBXLLPQUFQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.77
Rot. Bonds8

About 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol

1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol (PubChem CID 64818942) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
PubChem CID64818942
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol
SMILESCCC1(CC)CCN(CCCCC(C)(O)CN)CC1
InChIInChI=1S/C16H34N2O/c1-4-16(5-2)9-12-18(13-10-16)11-7-6-8-15(3,19)14-17/h19H,4-14,17H2,1-3H3
InChIKeyLXFQSBXLLPQUFQ-UHFFFAOYSA-N
XLogP2.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.77
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-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
1-amino-6-(4-ethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818689
7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
1-amino-6-(3,5-dimethylpiperidin-1-yl)-2-methylhexan-2-ol
CID 64818763
1-(9-bromononyl)-4,4-diethylpiperidine
CID 105343769
4-(4,4-diethylpiperidin-1-yl)butanehydrazide
CID 63583162
2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
CID 63158997
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-2-ol
CID 63159462
2-[(4,4-diethylpiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 63159996
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol?
The IUPAC name of 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol (CID 64818942) is 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol.
What is the SMILES notation for 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol?
The canonical SMILES for 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol is CCC1(CC)CCN(CCCCC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol?
The InChIKey is LXFQSBXLLPQUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-4-16(5-2)9-12-18(13-10-16)11-7-6-8-15(3,19)14-17/h19H,4-14,17H2,1-3H3.
What are the key properties of 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol?
1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(4,4-diethylpiperidin-1-yl)-2-methylhexan-2-ol is sourced from PubChem (CID 64818942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).