N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine

C17H25F3N2O — CID 91329102

IUPACN-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCC(C)NC1CCN(c2cc(OC)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H25F3N2O/c1-4-12(2)21-14-5-7-22(8-6-14)15-9-13(17(18,19)20)10-16(11-15)23-3/h9-12,14,21H,4-8H2,1-3H3
InChIKeyOUHVOPOZZKAFSG-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.07
Rot. Bonds5

About N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine

N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine (PubChem CID 91329102) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
PubChem CID91329102
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC NameN-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCC(C)NC1CCN(c2cc(OC)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H25F3N2O/c1-4-12(2)21-14-5-7-22(8-6-14)15-9-13(17(18,19)20)10-16(11-15)23-3/h9-12,14,21H,4-8H2,1-3H3
InChIKeyOUHVOPOZZKAFSG-UHFFFAOYSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 11516096
1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 114263163
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 65491427
(5S)-5-ethyl-3-[3-methoxy-5-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 154869240
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
1-[3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)phenyl]pyrrolidine
CID 168513619
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
4-methoxy-N-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 44548694
2-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone
CID 45169754
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
ethane;1-[3-propan-2-yl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 170788295

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The IUPAC name of N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine (CID 91329102) is N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine is CCC(C)NC1CCN(c2cc(OC)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
The InChIKey is OUHVOPOZZKAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-4-12(2)21-14-5-7-22(8-6-14)15-9-13(17(18,19)20)10-16(11-15)23-3/h9-12,14,21H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine?
N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 91329102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).