2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine

C14H20F2N2 — CID 115526755

IUPAC2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
SMILESNCC(c1cccc(C(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H20F2N2/c15-14(16)12-6-4-5-11(9-12)13(10-17)18-7-2-1-3-8-18/h4-6,9,13-14H,1-3,7-8,10,17H2
InChIKeyCQXSYWXPBWKCND-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.11
Rot. Bonds4

About 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine

2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine (PubChem CID 115526755) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
PubChem CID115526755
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
SMILESNCC(c1cccc(C(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H20F2N2/c15-14(16)12-6-4-5-11(9-12)13(10-17)18-7-2-1-3-8-18/h4-6,9,13-14H,1-3,7-8,10,17H2
InChIKeyCQXSYWXPBWKCND-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-[3-(difluoromethyl)phenyl]-2-(4-methoxypiperidin-1-yl)ethanamine
CID 115526779
2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61212628
ethyl 3-[3-(difluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanoate
CID 115529432
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
2-(3,5-difluorophenyl)-2-piperidin-1-ylethanamine
CID 106528476
2-[3-(difluoromethyl)phenyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 115526864
2-piperidin-1-yl-2-(3,4,5-trifluorophenyl)ethanamine
CID 63051253
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine (CID 115526755) is 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine is NCC(c1cccc(C(F)F)c1)N1CCCCC1.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine?
The InChIKey is CQXSYWXPBWKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-14(16)12-6-4-5-11(9-12)13(10-17)18-7-2-1-3-8-18/h4-6,9,13-14H,1-3,7-8,10,17H2.
What are the key properties of 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine?
2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine has a molecular weight of 254.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 115526755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).