(3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol

C14H19F3N4O — CID 70747612

IUPAC(3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol
SMILESN[C@@H]1CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C[C@H]1O
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-8-3-1-2-4-10(8)19-13(20-12)21-6-5-9(18)11(22)7-21/h9,11,22H,1-7,18H2/t9-,11-/m1/s1
InChIKeyDRPZZCCCXCGKDN-MWLCHTKSSA-N
MW316.33 g/mol
LogP1.27
Rot. Bonds1

About (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol

(3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol (PubChem CID 70747612) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol
PubChem CID70747612
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name(3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol
SMILESN[C@@H]1CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C[C@H]1O
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-8-3-1-2-4-10(8)19-13(20-12)21-6-5-9(18)11(22)7-21/h9,11,22H,1-7,18H2/t9-,11-/m1/s1
InChIKeyDRPZZCCCXCGKDN-MWLCHTKSSA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol with MolForge

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Related Compounds

2-{[6-Methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]amino}ethanol
CID 2941817
4-[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxylic acid
CID 56869921
rac-(3S,4S)-4-(dimethylamino)-1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)pyrrolidin-3-ol
CID 129621576
2,2-Difluoro-3-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 138019284
4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 171359243
2-[[(6R)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
CID 7106517
2-[[(6S)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethanol
CID 7106518
{(3R*,4R*)-4-(piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl}methanol
CID 70783957
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydro-2-quinazolinyl]-3-pyrrolidinyl}methanol
CID 72874285
N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82192070
1-[4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine
CID 82192138
1,5-anhydro-2,3-dideoxy-4-O-methyl-3-{[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino}-D-threo-pentitol
CID 91790420

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol (CID 70747612) is (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol is N[C@@H]1CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol?
The InChIKey is DRPZZCCCXCGKDN-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)12-8-3-1-2-4-10(8)19-13(20-12)21-6-5-9(18)11(22)7-21/h9,11,22H,1-7,18H2/t9-,11-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol?
(3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol has a molecular weight of 316.33 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 70747612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).