2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile

C15H20N2 — CID 117329251

IUPAC2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile
SMILESCc1cc(CC2CCCCN2)cc(C#N)c1C
InChIInChI=1S/C15H20N2/c1-11-7-13(8-14(10-16)12(11)2)9-15-5-3-4-6-17-15/h7-8,15,17H,3-6,9H2,1-2H3
InChIKeyQMWRVFLNPUNUTF-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.86
Rot. Bonds2

About 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile

2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile (PubChem CID 117329251) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile
PubChem CID117329251
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile
SMILESCc1cc(CC2CCCCN2)cc(C#N)c1C
InChIInChI=1S/C15H20N2/c1-11-7-13(8-14(10-16)12(11)2)9-15-5-3-4-6-17-15/h7-8,15,17H,3-6,9H2,1-2H3
InChIKeyQMWRVFLNPUNUTF-UHFFFAOYSA-N
XLogP2.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
2,3-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117368202
3-fluoro-2-methoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117340394
2-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422361
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
2-[(3-chloro-5-methylphenyl)methyl]piperidine
CID 84688929
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile?
The IUPAC name of 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile (CID 117329251) is 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile.
What is the SMILES notation for 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile?
The canonical SMILES for 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile is Cc1cc(CC2CCCCN2)cc(C#N)c1C.
What is the InChIKey of 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile?
The InChIKey is QMWRVFLNPUNUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-7-13(8-14(10-16)12(11)2)9-15-5-3-4-6-17-15/h7-8,15,17H,3-6,9H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile?
2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile has a molecular weight of 228.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(piperidin-2-ylmethyl)benzonitrile is sourced from PubChem (CID 117329251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).