(2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine

C15H22N2 — CID 6543612

IUPAC(2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine
SMILESCc1ccccc1/N=C1\C[C@@H](C)N(C)C[C@H]1C
InChIInChI=1S/C15H22N2/c1-11-7-5-6-8-14(11)16-15-9-13(3)17(4)10-12(15)2/h5-8,12-13H,9-10H2,1-4H3/b16-15+/t12-,13-/m1/s1
InChIKeyQWTISDOHQBTPQV-QVDVFPETSA-N
MW230.36 g/mol
LogP3.43
Rot. Bonds1

About (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine

(2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine (PubChem CID 6543612) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine.

Molecular Properties

Compound Name(2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine
PubChem CID6543612
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine
SMILESCc1ccccc1/N=C1\C[C@@H](C)N(C)C[C@H]1C
InChIInChI=1S/C15H22N2/c1-11-7-5-6-8-14(11)16-15-9-13(3)17(4)10-12(15)2/h5-8,12-13H,9-10H2,1-4H3/b16-15+/t12-,13-/m1/s1
InChIKeyQWTISDOHQBTPQV-QVDVFPETSA-N
XLogP3.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine?
The IUPAC name of (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine (CID 6543612) is (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine.
What is the SMILES notation for (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine?
The canonical SMILES for (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine is Cc1ccccc1/N=C1\C[C@@H](C)N(C)C[C@H]1C.
What is the InChIKey of (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine?
The InChIKey is QWTISDOHQBTPQV-QVDVFPETSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-7-5-6-8-14(11)16-15-9-13(3)17(4)10-12(15)2/h5-8,12-13H,9-10H2,1-4H3/b16-15+/t12-,13-/m1/s1.
What are the key properties of (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine?
(2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine has a molecular weight of 230.36 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1,2,5-trimethyl-N-(2-methylphenyl)piperidin-4-imine is sourced from PubChem (CID 6543612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).