4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol

C14H22N2O — CID 115373578

IUPAC4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol
SMILESCc1cncc(C2(O)CCN(C(C)C)CC2)c1
InChIInChI=1S/C14H22N2O/c1-11(2)16-6-4-14(17,5-7-16)13-8-12(3)9-15-10-13/h8-11,17H,4-7H2,1-3H3
InChIKeyQTVAJSRUPRXJMI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.08
Rot. Bonds2

About 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol

4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol (PubChem CID 115373578) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol
PubChem CID115373578
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol
SMILESCc1cncc(C2(O)CCN(C(C)C)CC2)c1
InChIInChI=1S/C14H22N2O/c1-11(2)16-6-4-14(17,5-7-16)13-8-12(3)9-15-10-13/h8-11,17H,4-7H2,1-3H3
InChIKeyQTVAJSRUPRXJMI-UHFFFAOYSA-N
XLogP2.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol (CID 115373578) is 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol is Cc1cncc(C2(O)CCN(C(C)C)CC2)c1.
What is the InChIKey of 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol?
The InChIKey is QTVAJSRUPRXJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16-6-4-14(17,5-7-16)13-8-12(3)9-15-10-13/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol?
4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-pyridinyl)-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 115373578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).