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

C13H27NO — CID 62123783

IUPAC6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol
SMILESCC(O)CCCCN1CCCC(C)C1C
InChIInChI=1S/C13H27NO/c1-11-7-6-10-14(13(11)3)9-5-4-8-12(2)15/h11-13,15H,4-10H2,1-3H3
InChIKeyKBOIHLKCFCRILA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds5

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

6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol (PubChem CID 62123783) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol.

Molecular Properties

Compound Name6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol
PubChem CID62123783
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol
SMILESCC(O)CCCCN1CCCC(C)C1C
InChIInChI=1S/C13H27NO/c1-11-7-6-10-14(13(11)3)9-5-4-8-12(2)15/h11-13,15H,4-10H2,1-3H3
InChIKeyKBOIHLKCFCRILA-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol?
The IUPAC name of 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol (CID 62123783) is 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol.
What is the SMILES notation for 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol?
The canonical SMILES for 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol is CC(O)CCCCN1CCCC(C)C1C.
What is the InChIKey of 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol?
The InChIKey is KBOIHLKCFCRILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-7-6-10-14(13(11)3)9-5-4-8-12(2)15/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol?
6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol is sourced from PubChem (CID 62123783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).