3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline

C14H18ClF3N2 — CID 116698784

IUPAC3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCN1CCCC(CNc2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18ClF3N2/c1-20-4-2-3-10(9-20)8-19-13-6-11(14(16,17)18)5-12(15)7-13/h5-7,10,19H,2-4,8-9H2,1H3
InChIKeyIXLSZALJMPUULV-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.11
Rot. Bonds3

About 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline

3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline (PubChem CID 116698784) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline
PubChem CID116698784
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline
SMILESCN1CCCC(CNc2cc(Cl)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18ClF3N2/c1-20-4-2-3-10(9-20)8-19-13-6-11(14(16,17)18)5-12(15)7-13/h5-7,10,19H,2-4,8-9H2,1H3
InChIKeyIXLSZALJMPUULV-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
CID 116699074
3-chloro-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 55100033
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
3-bromo-N-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107335835
tert-butyl 3-[(3-chloro-5-fluoroanilino)methyl]piperidine-1-carboxylate
CID 107364244
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine
CID 116699196
2-N-ethyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717660
4-chloro-5-[(1-methylpiperidin-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133430497
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline (CID 116698784) is 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline is CN1CCCC(CNc2cc(Cl)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline?
The InChIKey is IXLSZALJMPUULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c1-20-4-2-3-10(9-20)8-19-13-6-11(14(16,17)18)5-12(15)7-13/h5-7,10,19H,2-4,8-9H2,1H3.
What are the key properties of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline?
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline has a molecular weight of 306.76 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116698784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).