1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol

C16H26N2O — CID 71111995

IUPAC1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol
SMILESCCC(C)c1ccc(N2CCC(O)(CC)CC2)nc1
InChIInChI=1S/C16H26N2O/c1-4-13(3)14-6-7-15(17-12-14)18-10-8-16(19,5-2)9-11-18/h6-7,12-13,19H,4-5,8-11H2,1-3H3
InChIKeySVCSTTQRZXNISI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds4

About 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol

1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol (PubChem CID 71111995) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol
PubChem CID71111995
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol
SMILESCCC(C)c1ccc(N2CCC(O)(CC)CC2)nc1
InChIInChI=1S/C16H26N2O/c1-4-13(3)14-6-7-15(17-12-14)18-10-8-16(19,5-2)9-11-18/h6-7,12-13,19H,4-5,8-11H2,1-3H3
InChIKeySVCSTTQRZXNISI-UHFFFAOYSA-N
XLogP3.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol?
The IUPAC name of 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol (CID 71111995) is 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol.
What is the SMILES notation for 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol?
The canonical SMILES for 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol is CCC(C)c1ccc(N2CCC(O)(CC)CC2)nc1.
What is the InChIKey of 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol?
The InChIKey is SVCSTTQRZXNISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-13(3)14-6-7-15(17-12-14)18-10-8-16(19,5-2)9-11-18/h6-7,12-13,19H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol?
1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol has a molecular weight of 262.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol is sourced from PubChem (CID 71111995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).