piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol

C17H26N2O2 — CID 82340267

IUPACpiperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol
SMILESCN1CC(C)(C)Oc2ccc(C(O)C3CCCNC3)cc21
InChIInChI=1S/C17H26N2O2/c1-17(2)11-19(3)14-9-12(6-7-15(14)21-17)16(20)13-5-4-8-18-10-13/h6-7,9,13,16,18,20H,4-5,8,10-11H2,1-3H3
InChIKeyMUUSTRZGUMBRKD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.33
Rot. Bonds2

About piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol

piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol (PubChem CID 82340267) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol.

Molecular Properties

Compound Namepiperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol
PubChem CID82340267
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namepiperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol
SMILESCN1CC(C)(C)Oc2ccc(C(O)C3CCCNC3)cc21
InChIInChI=1S/C17H26N2O2/c1-17(2)11-19(3)14-9-12(6-7-15(14)21-17)16(20)13-5-4-8-18-10-13/h6-7,9,13,16,18,20H,4-5,8,10-11H2,1-3H3
InChIKeyMUUSTRZGUMBRKD-UHFFFAOYSA-N
XLogP2.33
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol?
The IUPAC name of piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol (CID 82340267) is piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol.
What is the SMILES notation for piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol?
The canonical SMILES for piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol is CN1CC(C)(C)Oc2ccc(C(O)C3CCCNC3)cc21.
What is the InChIKey of piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol?
The InChIKey is MUUSTRZGUMBRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)11-19(3)14-9-12(6-7-15(14)21-17)16(20)13-5-4-8-18-10-13/h6-7,9,13,16,18,20H,4-5,8,10-11H2,1-3H3.
What are the key properties of piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol?
piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol has a molecular weight of 290.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-(2,2,4-trimethyl-3H-1,4-benzoxazin-6-yl)methanol is sourced from PubChem (CID 82340267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).