4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline

C15H23FN2 — CID 115054203

IUPAC4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
SMILESCc1cc(CF)ccc1NCCC1CCNCC1
InChIInChI=1S/C15H23FN2/c1-12-10-14(11-16)2-3-15(12)18-9-6-13-4-7-17-8-5-13/h2-3,10,13,17-18H,4-9,11H2,1H3
InChIKeyHXZCASYETWYEKT-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.27
Rot. Bonds5

About 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline

4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline (PubChem CID 115054203) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
PubChem CID115054203
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
SMILESCc1cc(CF)ccc1NCCC1CCNCC1
InChIInChI=1S/C15H23FN2/c1-12-10-14(11-16)2-3-15(12)18-9-6-13-4-7-17-8-5-13/h2-3,10,13,17-18H,4-9,11H2,1H3
InChIKeyHXZCASYETWYEKT-UHFFFAOYSA-N
XLogP3.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054208
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115052335
N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline
CID 142431546
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
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-methoxy-4,6-dimethyl-N-(2-piperidin-4-ylethyl)aniline
CID 115211539
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
2-chloro-5-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210629

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
The IUPAC name of 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline (CID 115054203) is 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline.
What is the SMILES notation for 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
The canonical SMILES for 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline is Cc1cc(CF)ccc1NCCC1CCNCC1.
What is the InChIKey of 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
The InChIKey is HXZCASYETWYEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-10-14(11-16)2-3-15(12)18-9-6-13-4-7-17-8-5-13/h2-3,10,13,17-18H,4-9,11H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline?
4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline has a molecular weight of 250.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline is sourced from PubChem (CID 115054203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).