(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine

C15H21F3N2O — CID 170208259

IUPAC(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
SMILESC[C@H]1CN(C)CC[C@H]1N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11-10-19(2)9-8-14(11)20(3)12-4-6-13(7-5-12)21-15(16,17)18/h4-7,11,14H,8-10H2,1-3H3/t11-,14+/m0/s1
InChIKeyDZXGASGAMDULPP-SMDDNHRTSA-N
MW302.34 g/mol
LogP3.36
Rot. Bonds3

About (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine

(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine (PubChem CID 170208259) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
PubChem CID170208259
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
SMILESC[C@H]1CN(C)CC[C@H]1N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11-10-19(2)9-8-14(11)20(3)12-4-6-13(7-5-12)21-15(16,17)18/h4-7,11,14H,8-10H2,1-3H3/t11-,14+/m0/s1
InChIKeyDZXGASGAMDULPP-SMDDNHRTSA-N
XLogP3.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208323
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 59726238
N-(4-fluoro-2-methylphenyl)-N,1,3-trimethylpiperidin-4-amine
CID 169123371
N-[3-(difluoromethoxy)-4-nitrophenyl]-N,1,3-trimethylpiperidin-4-amine
CID 133429286
ethane;N-methyl-4-(trifluoromethoxy)aniline;1,2,5-trimethylpiperidine
CID 169122968
4-[3,6-dimethyl-5-[N-methyl-4-(trifluoromethoxy)anilino]azocan-1-yl]-1,6-dimethyl-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 169123134
7-[(2S,5R)-2,5-dimethyl-4-[N-methyl-4-(trifluoromethoxy)anilino]piperidin-1-yl]-2,4-dimethyl-5H-[1,3]thiazolo[5,4-b]pyridin-5-ol
CID 170209526
2-[(1-methylpyrrolidin-3-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111065345
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine (CID 170208259) is (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine is C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
The InChIKey is DZXGASGAMDULPP-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-10-19(2)9-8-14(11)20(3)12-4-6-13(7-5-12)21-15(16,17)18/h4-7,11,14H,8-10H2,1-3H3/t11-,14+/m0/s1.
What are the key properties of (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 170208259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).