(1-hexylpiperidin-2-yl)methanol

C12H25NO — CID 54153658

IUPAC(1-hexylpiperidin-2-yl)methanol
SMILESCCCCCCN1CCCCC1CO
InChIInChI=1S/C12H25NO/c1-2-3-4-6-9-13-10-7-5-8-12(13)11-14/h12,14H,2-11H2,1H3
InChIKeyOJMZDVSNNAFRHA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds6

About (1-hexylpiperidin-2-yl)methanol

(1-hexylpiperidin-2-yl)methanol (PubChem CID 54153658) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1-hexylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(1-hexylpiperidin-2-yl)methanol
PubChem CID54153658
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1-hexylpiperidin-2-yl)methanol
SMILESCCCCCCN1CCCCC1CO
InChIInChI=1S/C12H25NO/c1-2-3-4-6-9-13-10-7-5-8-12(13)11-14/h12,14H,2-11H2,1H3
InChIKeyOJMZDVSNNAFRHA-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
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 (1-hexylpiperidin-2-yl)methanol?
The IUPAC name of (1-hexylpiperidin-2-yl)methanol (CID 54153658) is (1-hexylpiperidin-2-yl)methanol.
What is the SMILES notation for (1-hexylpiperidin-2-yl)methanol?
The canonical SMILES for (1-hexylpiperidin-2-yl)methanol is CCCCCCN1CCCCC1CO.
What is the InChIKey of (1-hexylpiperidin-2-yl)methanol?
The InChIKey is OJMZDVSNNAFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-6-9-13-10-7-5-8-12(13)11-14/h12,14H,2-11H2,1H3.
What are the key properties of (1-hexylpiperidin-2-yl)methanol?
(1-hexylpiperidin-2-yl)methanol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hexylpiperidin-2-yl)methanol is sourced from PubChem (CID 54153658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).