2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine

C17H27FN2 — CID 62089855

IUPAC2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-17(2,3)14-8-10-20(11-9-14)16(12-19)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12,19H2,1-3H3
InChIKeyZZSIQZJVOUSWEJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine

2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 62089855) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID62089855
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)C1CCN(C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2/c1-17(2,3)14-8-10-20(11-9-14)16(12-19)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12,19H2,1-3H3
InChIKeyZZSIQZJVOUSWEJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 63465065
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63669113
2-(4-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175047
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63171490
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740
2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 55032386
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
CID 79426847
2-(3-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 54985150
2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521966

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine (CID 62089855) is 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine is CC(C)(C)C1CCN(C(CN)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is ZZSIQZJVOUSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2,3)14-8-10-20(11-9-14)16(12-19)13-4-6-15(18)7-5-13/h4-7,14,16H,8-12,19H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 278.42 g/mol, XLogP of 3.58, 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-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 62089855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).