N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine

C15H24N2 — CID 115145443

IUPACN,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(N(C)C2CCNC(C)(C)C2)c1
InChIInChI=1S/C15H24N2/c1-12-6-5-7-13(10-12)17(4)14-8-9-16-15(2,3)11-14/h5-7,10,14,16H,8-9,11H2,1-4H3
InChIKeyIQYKPVXXTHBEQR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.96
Rot. Bonds2

About N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine

N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine (PubChem CID 115145443) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine
PubChem CID115145443
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine
SMILESCc1cccc(N(C)C2CCNC(C)(C)C2)c1
InChIInChI=1S/C15H24N2/c1-12-6-5-7-13(10-12)17(4)14-8-9-16-15(2,3)11-14/h5-7,10,14,16H,8-9,11H2,1-4H3
InChIKeyIQYKPVXXTHBEQR-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine (CID 115145443) is N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine is Cc1cccc(N(C)C2CCNC(C)(C)C2)c1.
What is the InChIKey of N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine?
The InChIKey is IQYKPVXXTHBEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-5-7-13(10-12)17(4)14-8-9-16-15(2,3)11-14/h5-7,10,14,16H,8-9,11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine?
N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 115145443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).