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

C22H36N4O — CID 25283348

IUPAC[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc3c(n2)CCC[C@@H]3NC2CCCCCCC2)CC1
InChIInChI=1S/C22H36N4O/c27-16-17-11-13-26(14-12-17)22-23-15-19-20(9-6-10-21(19)25-22)24-18-7-4-2-1-3-5-8-18/h15,17-18,20,24,27H,1-14,16H2/t20-/m0/s1
InChIKeyNRWFVOOOYCFPFQ-FQEVSTJZSA-N
MW372.56 g/mol
LogP3.77
Rot. Bonds4

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

[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 25283348) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID25283348
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ncc3c(n2)CCC[C@@H]3NC2CCCCCCC2)CC1
InChIInChI=1S/C22H36N4O/c27-16-17-11-13-26(14-12-17)22-23-15-19-20(9-6-10-21(19)25-22)24-18-7-4-2-1-3-5-8-18/h15,17-18,20,24,27H,1-14,16H2/t20-/m0/s1
InChIKeyNRWFVOOOYCFPFQ-FQEVSTJZSA-N
XLogP3.77
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 25283348) is [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2ncc3c(n2)CCC[C@@H]3NC2CCCCCCC2)CC1.
What is the InChIKey of [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is NRWFVOOOYCFPFQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H36N4O/c27-16-17-11-13-26(14-12-17)22-23-15-19-20(9-6-10-21(19)25-22)24-18-7-4-2-1-3-5-8-18/h15,17-18,20,24,27H,1-14,16H2/t20-/m0/s1.
What are the key properties of [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 372.56 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 25283348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).