N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide

C14H20N2O — CID 175252805

IUPACN-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide
SMILESCc1cccc(C)c1N1CCCC[C@@H]1NC=O
InChIInChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)16-9-4-3-8-13(16)15-10-17/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyKYKNUTHYHGSORU-CYBMUJFWSA-N
MW232.33 g/mol
LogP2.37
Rot. Bonds3

About N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide

N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide (PubChem CID 175252805) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide
PubChem CID175252805
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide
SMILESCc1cccc(C)c1N1CCCC[C@@H]1NC=O
InChIInChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)16-9-4-3-8-13(16)15-10-17/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyKYKNUTHYHGSORU-CYBMUJFWSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide?
The IUPAC name of N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide (CID 175252805) is N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide.
What is the SMILES notation for N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide?
The canonical SMILES for N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide is Cc1cccc(C)c1N1CCCC[C@@H]1NC=O.
What is the InChIKey of N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide?
The InChIKey is KYKNUTHYHGSORU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)16-9-4-3-8-13(16)15-10-17/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide?
N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide has a molecular weight of 232.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,6-dimethylphenyl)piperidin-2-yl]formamide is sourced from PubChem (CID 175252805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).