2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline

C14H21FN2 — CID 117117895

IUPAC2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
SMILESCN(C)c1c(F)cccc1CC1CCNCC1
InChIInChI=1S/C14H21FN2/c1-17(2)14-12(4-3-5-13(14)15)10-11-6-8-16-9-7-11/h3-5,11,16H,6-10H2,1-2H3
InChIKeyVBSMOUZUYWMFQE-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.43
Rot. Bonds3

About 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline

2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline (PubChem CID 117117895) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
PubChem CID117117895
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
SMILESCN(C)c1c(F)cccc1CC1CCNCC1
InChIInChI=1S/C14H21FN2/c1-17(2)14-12(4-3-5-13(14)15)10-11-6-8-16-9-7-11/h3-5,11,16H,6-10H2,1-2H3
InChIKeyVBSMOUZUYWMFQE-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 84806750
4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 84801983
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
4-[[3-fluoro-2-(2-fluorophenoxy)phenyl]methyl]piperidine
CID 18669380
4-[[2-(3-fluoro-2-methylphenoxy)phenyl]methyl]piperidine
CID 18669393
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209099
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline (CID 117117895) is 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline is CN(C)c1c(F)cccc1CC1CCNCC1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline?
The InChIKey is VBSMOUZUYWMFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17(2)14-12(4-3-5-13(14)15)10-11-6-8-16-9-7-11/h3-5,11,16H,6-10H2,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline?
2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline has a molecular weight of 236.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 117117895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).