2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine

C16H25FN2 — CID 63156191

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(2)8-10-19(11-9-16)15(12-18)13-4-6-14(17)7-5-13/h4-7,15H,3,8-12,18H2,1-2H3
InChIKeyWUQAKYOJTRCNAB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine

2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 63156191) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID63156191
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
SMILESCCC1(C)CCN(C(CN)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(2)8-10-19(11-9-16)15(12-18)13-4-6-14(17)7-5-13/h4-7,15H,3,8-12,18H2,1-2H3
InChIKeyWUQAKYOJTRCNAB-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
4-[2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-N,N-dimethylaniline
CID 63157411
2-(3-bromo-4-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157455
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(furan-3-yl)ethanamine
CID 55163205
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 106817408
[1-[1-(4-fluorophenyl)propyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771726
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine (CID 63156191) is 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine is CCC1(C)CCN(C(CN)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is WUQAKYOJTRCNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(2)8-10-19(11-9-16)15(12-18)13-4-6-14(17)7-5-13/h4-7,15H,3,8-12,18H2,1-2H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine?
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 63156191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).