2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine

C17H26F2N2 — CID 63669113

IUPAC2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(C(CN)c2cccc(F)c2F)CC1
InChIInChI=1S/C17H26F2N2/c1-17(2,3)12-7-9-21(10-8-12)15(11-20)13-5-4-6-14(18)16(13)19/h4-6,12,15H,7-11,20H2,1-3H3
InChIKeyWHDLSOFKQWIFOH-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine

2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine (PubChem CID 63669113) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
PubChem CID63669113
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(C(CN)c2cccc(F)c2F)CC1
InChIInChI=1S/C17H26F2N2/c1-17(2,3)12-7-9-21(10-8-12)15(11-20)13-5-4-6-14(18)16(13)19/h4-6,12,15H,7-11,20H2,1-3H3
InChIKeyWHDLSOFKQWIFOH-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 63669105
2-(4-cyclopropylpiperazin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63668083
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2,3-difluorophenyl)ethanamine
CID 63668255
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
2-(2,3-difluorophenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55234530
2-(2,3-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 55233922
2-(2,3-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 63667059
2-(4-tert-butylpiperidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 63465065
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 65319085
2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 55032386
2-(2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585183
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine (CID 63669113) is 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine is CC(C)(C)C1CCN(C(CN)c2cccc(F)c2F)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine?
The InChIKey is WHDLSOFKQWIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-17(2,3)12-7-9-21(10-8-12)15(11-20)13-5-4-6-14(18)16(13)19/h4-6,12,15H,7-11,20H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine?
2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine has a molecular weight of 296.40 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-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine is sourced from PubChem (CID 63669113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).