N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine

C16H23F3N2 — CID 63249107

IUPACN-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-12(21-9-4-3-8-15(21)11-20-2)13-6-5-7-14(10-13)16(17,18)19/h5-7,10,12,15,20H,3-4,8-9,11H2,1-2H3
InChIKeyBQLYLKAQKNNOQK-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.84
Rot. Bonds4

About N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine (PubChem CID 63249107) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
PubChem CID63249107
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-12(21-9-4-3-8-15(21)11-20-2)13-6-5-7-14(10-13)16(17,18)19/h5-7,10,12,15,20H,3-4,8-9,11H2,1-2H3
InChIKeyBQLYLKAQKNNOQK-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
CID 61204886
1-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316160
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119648935
1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine
CID 114872104
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 119649404
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine (CID 63249107) is N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine is CNCC1CCCCN1C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine?
The InChIKey is BQLYLKAQKNNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12(21-9-4-3-8-15(21)11-20-2)13-6-5-7-14(10-13)16(17,18)19/h5-7,10,12,15,20H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine has a molecular weight of 300.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 63249107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).