2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline

C12H16ClFN2 — CID 107527336

IUPAC2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
SMILESFc1ccc(Cl)c(NCC2CCNCC2)c1
InChIInChI=1S/C12H16ClFN2/c13-11-2-1-10(14)7-12(11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15-16H,3-6,8H2
InChIKeyHFJGGQCUPHLLKM-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline

2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline (PubChem CID 107527336) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
PubChem CID107527336
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline
SMILESFc1ccc(Cl)c(NCC2CCNCC2)c1
InChIInChI=1S/C12H16ClFN2/c13-11-2-1-10(14)7-12(11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15-16H,3-6,8H2
InChIKeyHFJGGQCUPHLLKM-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952
5-[(2-chloro-5-fluoroanilino)methyl]pyrrolidin-2-one
CID 107530188
6-fluoro-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 95929826
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
5-fluoro-2-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]aniline;hydrochloride
CID 66578178
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
2-bromo-N-(cyclopropylmethyl)-4-fluoroaniline
CID 43560333
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
CID 114285118
6-chloro-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyridazin-4-amine
CID 155594609
3-fluoro-5-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 114262773

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline (CID 107527336) is 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline is Fc1ccc(Cl)c(NCC2CCNCC2)c1.
What is the InChIKey of 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is HFJGGQCUPHLLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-2-1-10(14)7-12(11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15-16H,3-6,8H2.
What are the key properties of 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline?
2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 242.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 107527336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).