[1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

C21H27FN4O — CID 45231851

IUPAC[1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc3c(n2)CCCC3NCc2cccc(F)c2)CC1
InChIInChI=1S/C21H27FN4O/c22-17-4-1-3-16(11-17)12-23-19-5-2-6-20-18(19)13-24-21(25-20)26-9-7-15(14-27)8-10-26/h1,3-4,11,13,15,19,23,27H,2,5-10,12,14H2
InChIKeyHNDXGMOSBGPKJI-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.99
Rot. Bonds5

About [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

[1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 45231851) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID45231851
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name[1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc3c(n2)CCCC3NCc2cccc(F)c2)CC1
InChIInChI=1S/C21H27FN4O/c22-17-4-1-3-16(11-17)12-23-19-5-2-6-20-18(19)13-24-21(25-20)26-9-7-15(14-27)8-10-26/h1,3-4,11,13,15,19,23,27H,2,5-10,12,14H2
InChIKeyHNDXGMOSBGPKJI-UHFFFAOYSA-N
XLogP2.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907
4-[[2-(Butylamino)-5-[5-[(dimethylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792563
trans-4-((2-(Methylamino)-5-(pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
CID 72793046
4-[[2-(Ethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793047
4-[[2-(Propylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793048
4-[[2-(Pentylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793105
4-[[2-(Pentan-2-ylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793106
4-[[2-[Butyl(methyl)amino]-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793107
4-[[2-(Cyclohexylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793109
4-[[2-(Benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72793110

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 45231851) is [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2ncc3c(n2)CCCC3NCc2cccc(F)c2)CC1.
What is the InChIKey of [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is HNDXGMOSBGPKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-17-4-1-3-16(11-17)12-23-19-5-2-6-20-18(19)13-24-21(25-20)26-9-7-15(14-27)8-10-26/h1,3-4,11,13,15,19,23,27H,2,5-10,12,14H2.
What are the key properties of [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 370.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45231851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).