N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

C14H19F3N2O — CID 43607736

IUPACN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C14H19F3N2O/c1-19(12-6-8-18-9-7-12)10-11-2-4-13(5-3-11)20-14(15,16)17/h2-5,12,18H,6-10H2,1H3
InChIKeyVWMIULHLWKFHLU-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 43607736) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
PubChem CID43607736
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C14H19F3N2O/c1-19(12-6-8-18-9-7-12)10-11-2-4-13(5-3-11)20-14(15,16)17/h2-5,12,18H,6-10H2,1H3
InChIKeyVWMIULHLWKFHLU-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
N-methyl-N-(piperidin-4-ylmethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]aniline
CID 141351591
N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119553445
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylazepan-4-amine
CID 104974295
N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
CID 142725287
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 106778601
N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride
CID 120845420
N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (CID 43607736) is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is CN(Cc1ccc(OC(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
The InChIKey is VWMIULHLWKFHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-19(12-6-8-18-9-7-12)10-11-2-4-13(5-3-11)20-14(15,16)17/h2-5,12,18H,6-10H2,1H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 43607736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).