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

C14H22N4O — CID 70778972

IUPAC[1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
SMILESNC1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C14H22N4O/c15-12-2-1-3-13-11(12)8-16-14(17-13)18-6-4-10(9-19)5-7-18/h8,10,12,19H,1-7,9,15H2
InChIKeyFMVPZMDQWXSMND-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.02
Rot. Bonds2

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

[1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol (PubChem CID 70778972) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
PubChem CID70778972
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
SMILESNC1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C14H22N4O/c15-12-2-1-3-13-11(12)8-16-14(17-13)18-6-4-10(9-19)5-7-18/h8,10,12,19H,1-7,9,15H2
InChIKeyFMVPZMDQWXSMND-UHFFFAOYSA-N
XLogP1.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol (CID 70778972) is [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol is NC1CCCc2nc(N3CCC(CO)CC3)ncc21.
What is the InChIKey of [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol?
The InChIKey is FMVPZMDQWXSMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-12-2-1-3-13-11(12)8-16-14(17-13)18-6-4-10(9-19)5-7-18/h8,10,12,19H,1-7,9,15H2.
What are the key properties of [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol?
[1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol has a molecular weight of 262.36 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 70778972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).