2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol

C14H25NO — CID 2840211

IUPAC2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol
SMILESCC(C)(C)C(C)(O)C#CCN1CCCCC1
InChIInChI=1S/C14H25NO/c1-13(2,3)14(4,16)9-8-12-15-10-6-5-7-11-15/h16H,5-7,10-12H2,1-4H3
InChIKeyNDHPXRNUMRFRRQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.27
Rot. Bonds1

About 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol

2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol (PubChem CID 2840211) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol
PubChem CID2840211
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol
SMILESCC(C)(C)C(C)(O)C#CCN1CCCCC1
InChIInChI=1S/C14H25NO/c1-13(2,3)14(4,16)9-8-12-15-10-6-5-7-11-15/h16H,5-7,10-12H2,1-4H3
InChIKeyNDHPXRNUMRFRRQ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The IUPAC name of 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol (CID 2840211) is 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol.
What is the SMILES notation for 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The canonical SMILES for 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol is CC(C)(C)C(C)(O)C#CCN1CCCCC1.
What is the InChIKey of 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
The InChIKey is NDHPXRNUMRFRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,3)14(4,16)9-8-12-15-10-6-5-7-11-15/h16H,5-7,10-12H2,1-4H3.
What are the key properties of 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol?
2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-6-piperidin-1-ylhex-4-yn-3-ol is sourced from PubChem (CID 2840211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).