N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

C20H31F3N4O — CID 45223321

IUPACN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESCC(C)(CNC1CCCN(c2ccc(C(F)(F)F)cn2)C1)CN1CCOCC1
InChIInChI=1S/C20H31F3N4O/c1-19(2,15-26-8-10-28-11-9-26)14-25-17-4-3-7-27(13-17)18-6-5-16(12-24-18)20(21,22)23/h5-6,12,17,25H,3-4,7-11,13-15H2,1-2H3
InChIKeyMDDDSCQLRXPVRL-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.02
Rot. Bonds6

About N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine

N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (PubChem CID 45223321) has the molecular formula C20H31F3N4O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
PubChem CID45223321
Molecular FormulaC20H31F3N4O
Molecular Weight400.49 g/mol
Exact Mass400.24
IUPAC NameN-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
SMILESCC(C)(CNC1CCCN(c2ccc(C(F)(F)F)cn2)C1)CN1CCOCC1
InChIInChI=1S/C20H31F3N4O/c1-19(2,15-26-8-10-28-11-9-26)14-25-17-4-3-7-27(13-17)18-6-5-16(12-24-18)20(21,22)23/h5-6,12,17,25H,3-4,7-11,13-15H2,1-2H3
InChIKeyMDDDSCQLRXPVRL-UHFFFAOYSA-N
XLogP3.02
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine with MolForge

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Related Compounds

Jnj-17203212
CID 11339118
Bimiralisib
CID 58507717
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
Sra-737
CID 72165232
Gne-3511
CID 72547959
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501
Piperazine-1-carboxamide, 4
CID 2741409
N-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)acetamide
CID 2741630
N-tert-butyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide
CID 2741632

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The IUPAC name of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine (CID 45223321) is N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The canonical SMILES for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is CC(C)(CNC1CCCN(c2ccc(C(F)(F)F)cn2)C1)CN1CCOCC1.
What is the InChIKey of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
The InChIKey is MDDDSCQLRXPVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N4O/c1-19(2,15-26-8-10-28-11-9-26)14-25-17-4-3-7-27(13-17)18-6-5-16(12-24-18)20(21,22)23/h5-6,12,17,25H,3-4,7-11,13-15H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine?
N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 400.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 45223321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).