(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine

C15H17F3N4 — CID 129257507

IUPAC(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine
SMILESC[C@H]1C[C@@H](N)CN(c2ccc(C(F)(F)F)c3ncncc23)C1
InChIInChI=1S/C15H17F3N4/c1-9-4-10(19)7-22(6-9)13-3-2-12(15(16,17)18)14-11(13)5-20-8-21-14/h2-3,5,8-10H,4,6-7,19H2,1H3/t9-,10+/m0/s1
InChIKeyPGVLWFWZQWOEMV-VHSXEESVSA-N
MW310.32 g/mol
LogP2.82
Rot. Bonds1

About (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine

(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine (PubChem CID 129257507) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine
PubChem CID129257507
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine
SMILESC[C@H]1C[C@@H](N)CN(c2ccc(C(F)(F)F)c3ncncc23)C1
InChIInChI=1S/C15H17F3N4/c1-9-4-10(19)7-22(6-9)13-3-2-12(15(16,17)18)14-11(13)5-20-8-21-14/h2-3,5,8-10H,4,6-7,19H2,1H3/t9-,10+/m0/s1
InChIKeyPGVLWFWZQWOEMV-VHSXEESVSA-N
XLogP2.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
5-methyl-1-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 79993039
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 174114905
(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
CID 129241158
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464
2-(3-aminoazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 129241455
(3R,5S)-5-methyl-1-quinoxalin-5-ylpiperidin-3-amine
CID 129240529
1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 153398901
(3R)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 160946489
(3S)-3-amino-4-hydroxy-1-[(3S,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butan-2-one
CID 152826442
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine?
The IUPAC name of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine (CID 129257507) is (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine.
What is the SMILES notation for (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine?
The canonical SMILES for (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine is C[C@H]1C[C@@H](N)CN(c2ccc(C(F)(F)F)c3ncncc23)C1.
What is the InChIKey of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine?
The InChIKey is PGVLWFWZQWOEMV-VHSXEESVSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-9-4-10(19)7-22(6-9)13-3-2-12(15(16,17)18)14-11(13)5-20-8-21-14/h2-3,5,8-10H,4,6-7,19H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine?
(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine has a molecular weight of 310.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinazolin-5-yl]piperidin-3-amine is sourced from PubChem (CID 129257507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).