2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine

C17H28N2 — CID 117000301

IUPAC2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCNC(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-8-6-13(7-9-14)16-12-15(19(4)5)10-11-18-16/h6-9,15-16,18H,10-12H2,1-5H3
InChIKeyGYYGOIFQIITQEQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.34
Rot. Bonds2

About 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine

2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 117000301) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID117000301
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCNC(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,3)14-8-6-13(7-9-14)16-12-15(19(4)5)10-11-18-16/h6-9,15-16,18H,10-12H2,1-5H3
InChIKeyGYYGOIFQIITQEQ-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine (CID 117000301) is 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCNC(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is GYYGOIFQIITQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)14-8-6-13(7-9-14)16-12-15(19(4)5)10-11-18-16/h6-9,15-16,18H,10-12H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine?
2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 117000301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).