[1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol

C21H24N4O — CID 140961184

IUPAC[1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H24N4O/c26-15-17-10-6-7-13-25(17)21-23-19-12-5-4-11-18(19)20(24-21)22-14-16-8-2-1-3-9-16/h1-5,8-9,11-12,17,26H,6-7,10,13-15H2,(H,22,23,24)
InChIKeyZSYZXMKAZVDHBB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.59
Rot. Bonds5

About [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol

[1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 140961184) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID140961184
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H24N4O/c26-15-17-10-6-7-13-25(17)21-23-19-12-5-4-11-18(19)20(24-21)22-14-16-8-2-1-3-9-16/h1-5,8-9,11-12,17,26H,6-7,10,13-15H2,(H,22,23,24)
InChIKeyZSYZXMKAZVDHBB-UHFFFAOYSA-N
XLogP3.59
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol (CID 140961184) is [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1nc(NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is ZSYZXMKAZVDHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-15-17-10-6-7-13-25(17)21-23-19-12-5-4-11-18(19)20(24-21)22-14-16-8-2-1-3-9-16/h1-5,8-9,11-12,17,26H,6-7,10,13-15H2,(H,22,23,24).
What are the key properties of [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol has a molecular weight of 348.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(benzylamino)quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 140961184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).