2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

C18H30N2 — CID 16642740

IUPAC2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-14-9-11-20(12-10-14)17(13-19)15-5-7-16(8-6-15)18(2,3)4/h5-8,14,17H,9-13,19H2,1-4H3
InChIKeyLCRUYKXOXKFUBK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 16642740) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID16642740
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H30N2/c1-14-9-11-20(12-10-14)17(13-19)15-5-7-16(8-6-15)18(2,3)4/h5-8,14,17H,9-13,19H2,1-4H3
InChIKeyLCRUYKXOXKFUBK-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 43081261
2-(4-tert-butylpiperidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 63465065
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
2-(3-methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 61225963
2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 79984630
2-(4-ethoxyphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61224408
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 16642740) is 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is LCRUYKXOXKFUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-9-11-20(12-10-14)17(13-19)15-5-7-16(8-6-15)18(2,3)4/h5-8,14,17H,9-13,19H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.72, 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-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 16642740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).