2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine

C19H32N2 — CID 43081261

IUPAC2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-14-10-15(2)13-21(12-14)18(11-20)16-6-8-17(9-7-16)19(3,4)5/h6-9,14-15,18H,10-13,20H2,1-5H3
InChIKeyRWOPBQVSYOELFC-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine

2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 43081261) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID43081261
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(C(CN)c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-14-10-15(2)13-21(12-14)18(11-20)16-6-8-17(9-7-16)19(3,4)5/h6-9,14-15,18H,10-13,20H2,1-5H3
InChIKeyRWOPBQVSYOELFC-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
2-(3,5-dimethylpiperidin-1-yl)-2-(4-nitrophenyl)ethanamine
CID 82043412
2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63645052
2-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 83230769
2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 30049408
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 63470560
2-(3-chloro-5-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 114453224
2-(3,5-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 43146839
2-(4-tert-butylphenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanamine
CID 43592601

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine (CID 43081261) is 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is CC1CC(C)CN(C(CN)c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is RWOPBQVSYOELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14-10-15(2)13-21(12-14)18(11-20)16-6-8-17(9-7-16)19(3,4)5/h6-9,14-15,18H,10-13,20H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine?
2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 288.48 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43081261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).