3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile

C15H20N2O — CID 114484471

IUPAC3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
SMILESCc1cc(C#N)ccc1COCC1CCCNC1
InChIInChI=1S/C15H20N2O/c1-12-7-13(8-16)4-5-15(12)11-18-10-14-3-2-6-17-9-14/h4-5,7,14,17H,2-3,6,9-11H2,1H3
InChIKeyIQCAYIFKJCEBTP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.38
Rot. Bonds4

About 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile

3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile (PubChem CID 114484471) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
PubChem CID114484471
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
SMILESCc1cc(C#N)ccc1COCC1CCCNC1
InChIInChI=1S/C15H20N2O/c1-12-7-13(8-16)4-5-15(12)11-18-10-14-3-2-6-17-9-14/h4-5,7,14,17H,2-3,6,9-11H2,1H3
InChIKeyIQCAYIFKJCEBTP-UHFFFAOYSA-N
XLogP2.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612
3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831222
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
4-methyl-3-(piperidin-3-ylmethylamino)benzonitrile
CID 80555575
4-(piperidin-3-ylmethoxymethyl)pyridine-2-carbonitrile
CID 63880785
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
3-methyl-4-(oxolan-3-yloxymethyl)benzonitrile
CID 114481616

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile?
The IUPAC name of 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile (CID 114484471) is 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile.
What is the SMILES notation for 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile?
The canonical SMILES for 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile is Cc1cc(C#N)ccc1COCC1CCCNC1.
What is the InChIKey of 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile?
The InChIKey is IQCAYIFKJCEBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-7-13(8-16)4-5-15(12)11-18-10-14-3-2-6-17-9-14/h4-5,7,14,17H,2-3,6,9-11H2,1H3.
What are the key properties of 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile?
3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile is sourced from PubChem (CID 114484471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).