[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol

C18H23NO2 — CID 3589929

IUPAC[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc2ccccc2c1CN1CCCC(CO)C1
InChIInChI=1S/C18H23NO2/c1-21-18-9-8-15-6-2-3-7-16(15)17(18)12-19-10-4-5-14(11-19)13-20/h2-3,6-9,14,20H,4-5,10-13H2,1H3
InChIKeyCERNYGYBEWSHHI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds4

About [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol

[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol (PubChem CID 3589929) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol
PubChem CID3589929
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol
SMILESCOc1ccc2ccccc2c1CN1CCCC(CO)C1
InChIInChI=1S/C18H23NO2/c1-21-18-9-8-15-6-2-3-7-16(15)17(18)12-19-10-4-5-14(11-19)13-20/h2-3,6-9,14,20H,4-5,10-13H2,1H3
InChIKeyCERNYGYBEWSHHI-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol (CID 3589929) is [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol is COc1ccc2ccccc2c1CN1CCCC(CO)C1.
What is the InChIKey of [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is CERNYGYBEWSHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-18-9-8-15-6-2-3-7-16(15)17(18)12-19-10-4-5-14(11-19)13-20/h2-3,6-9,14,20H,4-5,10-13H2,1H3.
What are the key properties of [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 3589929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).