N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine

C26H29F3N2 — CID 46089304

IUPACN,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine
SMILESCN(C)c1ccc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12
InChIInChI=1S/C26H29F3N2/c1-30(2)25-12-9-21(23-5-3-4-6-24(23)25)18-31-15-13-20(14-16-31)17-19-7-10-22(11-8-19)26(27,28)29/h3-12,20H,13-18H2,1-2H3
InChIKeyRFGXXUKDGDAUCR-UHFFFAOYSA-N
MW426.53 g/mol
LogP6.38
Rot. Bonds5

About N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine

N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine (PubChem CID 46089304) has the molecular formula C26H29F3N2 and a molecular weight of 426.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine
PubChem CID46089304
Molecular FormulaC26H29F3N2
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC NameN,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine
SMILESCN(C)c1ccc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12
InChIInChI=1S/C26H29F3N2/c1-30(2)25-12-9-21(23-5-3-4-6-24(23)25)18-31-15-13-20(14-16-31)17-19-7-10-22(11-8-19)26(27,28)29/h3-12,20H,13-18H2,1-2H3
InChIKeyRFGXXUKDGDAUCR-UHFFFAOYSA-N
XLogP6.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

Fddnp F-18
CID 449685
2-(1-(6-((2-Fluoroethyl)(methyl)Amino)-2-naphthyl)ethylidene)malononitrile
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4-(2-fluorophenyl)-3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinoline
CID 3946411
1-Naphthalen-2-yl-4-(3-phenyl-propyl)-piperazine
CID 15723887
1-(3-Naphthalen-2-yl-propyl)-4-phenyl-piperazine
CID 15723897
1-Butyl-4-naphthalen-1-ylpiperazine
CID 20795235
N,N-dimethylpyren-1-amine
CID 145792
(S)-N,N'-Dimethyl-1,1'-binaphthyldiamine
CID 628556
(R)-2,11-Diaminoaporphine
CID 44568534
N,12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-butane-1,4-diamine.hydrochloride
CID 404332
6-N,12-N-bis[4-(4-methylpiperazin-1-yl)butyl]chrysene-6,12-diamine
CID 404333

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine?
The IUPAC name of N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine (CID 46089304) is N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine is CN(C)c1ccc(CN2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12.
What is the InChIKey of N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine?
The InChIKey is RFGXXUKDGDAUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N2/c1-30(2)25-12-9-21(23-5-3-4-6-24(23)25)18-31-15-13-20(14-16-31)17-19-7-10-22(11-8-19)26(27,28)29/h3-12,20H,13-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine?
N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine has a molecular weight of 426.53 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methyl]naphthalen-1-amine is sourced from PubChem (CID 46089304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).