2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol

C15H27NO — CID 692210

IUPAC2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol
SMILESCC(C)C(O)(C#CCN1CCCCC1)C(C)C
InChIInChI=1S/C15H27NO/c1-13(2)15(17,14(3)4)9-8-12-16-10-6-5-7-11-16/h13-14,17H,5-7,10-12H2,1-4H3
InChIKeyLYPMYQFAMLMBLK-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol

2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol (PubChem CID 692210) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol
PubChem CID692210
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol
SMILESCC(C)C(O)(C#CCN1CCCCC1)C(C)C
InChIInChI=1S/C15H27NO/c1-13(2)15(17,14(3)4)9-8-12-16-10-6-5-7-11-16/h13-14,17H,5-7,10-12H2,1-4H3
InChIKeyLYPMYQFAMLMBLK-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
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-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol?
The IUPAC name of 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol (CID 692210) is 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol.
What is the SMILES notation for 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol?
The canonical SMILES for 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol is CC(C)C(O)(C#CCN1CCCCC1)C(C)C.
What is the InChIKey of 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol?
The InChIKey is LYPMYQFAMLMBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2)15(17,14(3)4)9-8-12-16-10-6-5-7-11-16/h13-14,17H,5-7,10-12H2,1-4H3.
What are the key properties of 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol?
2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol has a molecular weight of 237.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-1-yl-3-propan-2-ylhex-4-yn-3-ol is sourced from PubChem (CID 692210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).