1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol

C15H23N3O — CID 103773457

IUPAC1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C15H23N3O/c1-11(19)12-6-8-18(9-7-12)15-13-4-2-3-5-14(13)16-10-17-15/h10-12,19H,2-9H2,1H3
InChIKeyVGLUVLWAYHPXHP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds2

About 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol

1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol (PubChem CID 103773457) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol
PubChem CID103773457
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ncnc3c2CCCC3)CC1
InChIInChI=1S/C15H23N3O/c1-11(19)12-6-8-18(9-7-12)15-13-4-2-3-5-14(13)16-10-17-15/h10-12,19H,2-9H2,1H3
InChIKeyVGLUVLWAYHPXHP-UHFFFAOYSA-N
XLogP1.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70756219
4-[1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]ethyl]morpholine
CID 70754334
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
4-[4-(bromomethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 80669482
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
N-ethyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-3-amine
CID 141430986
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 126853561
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyethanamine
CID 82692403
4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80669009
(2R)-1-[(2S)-4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95764162
1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839793

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol (CID 103773457) is 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2ncnc3c2CCCC3)CC1.
What is the InChIKey of 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is VGLUVLWAYHPXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(19)12-6-8-18(9-7-12)15-13-4-2-3-5-14(13)16-10-17-15/h10-12,19H,2-9H2,1H3.
What are the key properties of 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol?
1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 261.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 103773457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).