N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C19H28F3N3O — CID 138562982

IUPACN,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1N1CCOCC1)C1(C)CCNCC1
InChIInChI=1S/C19H28F3N3O/c1-18(5-7-23-8-6-18)24(2)14-15-3-4-16(19(20,21)22)13-17(15)25-9-11-26-12-10-25/h3-4,13,23H,5-12,14H2,1-2H3
InChIKeyFXSOSIPQPJPKER-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.12
Rot. Bonds4

About N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 138562982) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID138562982
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC NameN,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(C(F)(F)F)cc1N1CCOCC1)C1(C)CCNCC1
InChIInChI=1S/C19H28F3N3O/c1-18(5-7-23-8-6-18)24(2)14-15-3-4-16(19(20,21)22)13-17(15)25-9-11-26-12-10-25/h3-4,13,23H,5-12,14H2,1-2H3
InChIKeyFXSOSIPQPJPKER-UHFFFAOYSA-N
XLogP3.12
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 138562982) is N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is CN(Cc1ccc(C(F)(F)F)cc1N1CCOCC1)C1(C)CCNCC1.
What is the InChIKey of N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is FXSOSIPQPJPKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-18(5-7-23-8-6-18)24(2)14-15-3-4-16(19(20,21)22)13-17(15)25-9-11-26-12-10-25/h3-4,13,23H,5-12,14H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 371.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 138562982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).