N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine

C14H19F3N2 — CID 55168734

IUPACN-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2/c1-18-8-11-4-2-3-5-19(11)9-10-6-12(15)14(17)13(16)7-10/h6-7,11,18H,2-5,8-9H2,1H3
InChIKeyXPUSUYXUVWCZTL-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.68
Rot. Bonds4

About N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine

N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 55168734) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
PubChem CID55168734
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2/c1-18-8-11-4-2-3-5-19(11)9-10-6-12(15)14(17)13(16)7-10/h6-7,11,18H,2-5,8-9H2,1H3
InChIKeyXPUSUYXUVWCZTL-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249454
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
CID 63249108
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
1-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490906
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 63250206
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine (CID 55168734) is N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine is CNCC1CCCCN1Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is XPUSUYXUVWCZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-18-8-11-4-2-3-5-19(11)9-10-6-12(15)14(17)13(16)7-10/h6-7,11,18H,2-5,8-9H2,1H3.
What are the key properties of N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 272.31 g/mol, XLogP of 2.68, 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-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 55168734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).