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

C18H30N2 — CID 83987713

IUPAC2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-18(2,3)15-10-8-14(9-11-15)16(13-19)17-7-5-6-12-20(17)4/h8-11,16-17H,5-7,12-13,19H2,1-4H3
InChIKeyFACZLTZPVTXQMZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.51
Rot. Bonds3

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

2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 83987713) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID83987713
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H30N2/c1-18(2,3)15-10-8-14(9-11-15)16(13-19)17-7-5-6-12-20(17)4/h8-11,16-17H,5-7,12-13,19H2,1-4H3
InChIKeyFACZLTZPVTXQMZ-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986778
2-(4-methoxy-3-methylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986819
2-(3-methylphenyl)-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 82393170
2-(2-methoxyphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986919
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
4-[2-amino-1-(1-ethylpiperidin-2-yl)ethyl]phenol
CID 83987243
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
CID 83987245
1-[2-(4-tert-butylphenyl)-2-chloroethyl]-2-methylpiperidine
CID 82214703
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986396
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
2-(4-tert-butylphenyl)-2-(4,4-dimethoxycyclohexyl)ethanamine
CID 83977110

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine (CID 83987713) is 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine is CN1CCCCC1C(CN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is FACZLTZPVTXQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)15-10-8-14(9-11-15)16(13-19)17-7-5-6-12-20(17)4/h8-11,16-17H,5-7,12-13,19H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine?
2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.51, 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-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 83987713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).