4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile

C19H22N2O — CID 69020003

IUPAC4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile
SMILESCOCC1C(C)CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C19H22N2O/c1-14-6-5-11-21(19(14)13-22-2)18-10-9-15(12-20)16-7-3-4-8-17(16)18/h3-4,7-10,14,19H,5-6,11,13H2,1-2H3
InChIKeyQZBVXXHYHYQFNX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.96
Rot. Bonds3

About 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile

4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile (PubChem CID 69020003) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile
PubChem CID69020003
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile
SMILESCOCC1C(C)CCCN1c1ccc(C#N)c2ccccc12
InChIInChI=1S/C19H22N2O/c1-14-6-5-11-21(19(14)13-22-2)18-10-9-15(12-20)16-7-3-4-8-17(16)18/h3-4,7-10,14,19H,5-6,11,13H2,1-2H3
InChIKeyQZBVXXHYHYQFNX-UHFFFAOYSA-N
XLogP3.96
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile (CID 69020003) is 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile is COCC1C(C)CCCN1c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile?
The InChIKey is QZBVXXHYHYQFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-6-5-11-21(19(14)13-22-2)18-10-9-15(12-20)16-7-3-4-8-17(16)18/h3-4,7-10,14,19H,5-6,11,13H2,1-2H3.
What are the key properties of 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile?
4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)-3-methylpiperidin-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 69020003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).