N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine

C20H34N2 — CID 59709421

IUPACN-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1
InChIInChI=1S/C20H34N2/c1-19(2,3)15-8-9-18(17(14-15)20(4,5)6)21-16-10-12-22(7)13-11-16/h8-9,14,16,21H,10-13H2,1-7H3
InChIKeyWNMXNUDGUJSHDQ-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.79
Rot. Bonds2

About N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine

N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine (PubChem CID 59709421) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine
PubChem CID59709421
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC NameN-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1
InChIInChI=1S/C20H34N2/c1-19(2,3)15-8-9-18(17(14-15)20(4,5)6)21-16-10-12-22(7)13-11-16/h8-9,14,16,21H,10-13H2,1-7H3
InChIKeyWNMXNUDGUJSHDQ-UHFFFAOYSA-N
XLogP4.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine (CID 59709421) is N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine is CN1CCC(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1.
What is the InChIKey of N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine?
The InChIKey is WNMXNUDGUJSHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-19(2,3)15-8-9-18(17(14-15)20(4,5)6)21-16-10-12-22(7)13-11-16/h8-9,14,16,21H,10-13H2,1-7H3.
What are the key properties of N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine?
N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine has a molecular weight of 302.51 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-ditert-butylphenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 59709421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).