2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol

C20H27NO2 — CID 46231022

IUPAC2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol
SMILESCOc1ccc2cc(C(C)(O)CCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H27NO2/c1-20(22,10-13-21-11-4-3-5-12-21)18-8-6-17-15-19(23-2)9-7-16(17)14-18/h6-9,14-15,22H,3-5,10-13H2,1-2H3
InChIKeyQYDUURMPROTJFS-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.93
Rot. Bonds5

About 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol

2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol (PubChem CID 46231022) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol
PubChem CID46231022
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol
SMILESCOc1ccc2cc(C(C)(O)CCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H27NO2/c1-20(22,10-13-21-11-4-3-5-12-21)18-8-6-17-15-19(23-2)9-7-16(17)14-18/h6-9,14-15,22H,3-5,10-13H2,1-2H3
InChIKeyQYDUURMPROTJFS-UHFFFAOYSA-N
XLogP3.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol (CID 46231022) is 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol is COc1ccc2cc(C(C)(O)CCN3CCCCC3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol?
The InChIKey is QYDUURMPROTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(22,10-13-21-11-4-3-5-12-21)18-8-6-17-15-19(23-2)9-7-16(17)14-18/h6-9,14-15,22H,3-5,10-13H2,1-2H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol?
2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-4-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 46231022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).