[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol

C13H20N4O — CID 160884465

IUPAC[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol
SMILESOC[C@@H]1CN(c2ncc3c(n2)CCCC3)CCN1
InChIInChI=1S/C13H20N4O/c18-9-11-8-17(6-5-14-11)13-15-7-10-3-1-2-4-12(10)16-13/h7,11,14,18H,1-6,8-9H2/t11-/m0/s1
InChIKeySNLKVNBYSNMZAA-NSHDSACASA-N
MW248.33 g/mol
LogP0.13
Rot. Bonds2

About [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol

[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol (PubChem CID 160884465) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol
PubChem CID160884465
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol
SMILESOC[C@@H]1CN(c2ncc3c(n2)CCCC3)CCN1
InChIInChI=1S/C13H20N4O/c18-9-11-8-17(6-5-14-11)13-15-7-10-3-1-2-4-12(10)16-13/h7,11,14,18H,1-6,8-9H2/t11-/m0/s1
InChIKeySNLKVNBYSNMZAA-NSHDSACASA-N
XLogP0.13
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol?
The IUPAC name of [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol (CID 160884465) is [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol?
The canonical SMILES for [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol is OC[C@@H]1CN(c2ncc3c(n2)CCCC3)CCN1.
What is the InChIKey of [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol?
The InChIKey is SNLKVNBYSNMZAA-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O/c18-9-11-8-17(6-5-14-11)13-15-7-10-3-1-2-4-12(10)16-13/h7,11,14,18H,1-6,8-9H2/t11-/m0/s1.
What are the key properties of [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol?
[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol has a molecular weight of 248.33 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol is sourced from PubChem (CID 160884465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).