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

C17H25F3N4O — CID 131898075

IUPAC[1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCNc2nc3c(c(C(F)(F)F)n2)CCCC3)C1
InChIInChI=1S/C17H25F3N4O/c18-17(19,20)15-13-5-1-2-6-14(13)22-16(23-15)21-7-9-24-8-3-4-12(10-24)11-25/h12,25H,1-11H2,(H,21,22,23)
InChIKeyMOOPXCXRRQTMFA-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.49
Rot. Bonds5

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

[1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol (PubChem CID 131898075) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol
PubChem CID131898075
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC Name[1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(CCNc2nc3c(c(C(F)(F)F)n2)CCCC3)C1
InChIInChI=1S/C17H25F3N4O/c18-17(19,20)15-13-5-1-2-6-14(13)22-16(23-15)21-7-9-24-8-3-4-12(10-24)11-25/h12,25H,1-11H2,(H,21,22,23)
InChIKeyMOOPXCXRRQTMFA-UHFFFAOYSA-N
XLogP2.49
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol 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

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
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-amino-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-3-ol
CID 70747612
{(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
(2S)-4-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperazine-2-carboxylic acid
CID 95550109

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol (CID 131898075) is [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol is OCC1CCCN(CCNc2nc3c(c(C(F)(F)F)n2)CCCC3)C1.
What is the InChIKey of [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is MOOPXCXRRQTMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c18-17(19,20)15-13-5-1-2-6-14(13)22-16(23-15)21-7-9-24-8-3-4-12(10-24)11-25/h12,25H,1-11H2,(H,21,22,23).
What are the key properties of [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
[1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 358.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 131898075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).