4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline

C16H25FN2 — CID 115054208

IUPAC4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
SMILESCc1cc(C(C)F)ccc1NCCC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-12-11-15(13(2)17)3-4-16(12)19-10-7-14-5-8-18-9-6-14/h3-4,11,13-14,18-19H,5-10H2,1-2H3
InChIKeyOXMQKEFAQLDVTF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.83
Rot. Bonds5

About 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline

4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline (PubChem CID 115054208) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
PubChem CID115054208
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
SMILESCc1cc(C(C)F)ccc1NCCC1CCNCC1
InChIInChI=1S/C16H25FN2/c1-12-11-15(13(2)17)3-4-16(12)19-10-7-14-5-8-18-9-6-14/h3-4,11,13-14,18-19H,5-10H2,1-2H3
InChIKeyOXMQKEFAQLDVTF-UHFFFAOYSA-N
XLogP3.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054195
4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
CID 115053478
2-bromo-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054197
4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054203
3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115052335
N-(2-piperidin-4-ylethyl)aniline
CID 4778278
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
The IUPAC name of 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline (CID 115054208) is 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline.
What is the SMILES notation for 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
The canonical SMILES for 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline is Cc1cc(C(C)F)ccc1NCCC1CCNCC1.
What is the InChIKey of 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
The InChIKey is OXMQKEFAQLDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-11-15(13(2)17)3-4-16(12)19-10-7-14-5-8-18-9-6-14/h3-4,11,13-14,18-19H,5-10H2,1-2H3.
What are the key properties of 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline has a molecular weight of 264.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline is sourced from PubChem (CID 115054208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).