[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol

C21H25N7O2 — CID 123428635

IUPAC[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
SMILESOC(c1ncccn1)C1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C21H25N7O2/c29-19(20-22-6-2-7-23-20)15-3-1-8-28(14-15)21-17-5-4-16(13-18(17)24-26-25-21)27-9-11-30-12-10-27/h2,4-7,13,15,19,29H,1,3,8-12,14H2
InChIKeyLBQNLTXEYICICX-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.60
Rot. Bonds4

About [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol

[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol (PubChem CID 123428635) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
PubChem CID123428635
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol
SMILESOC(c1ncccn1)C1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1
InChIInChI=1S/C21H25N7O2/c29-19(20-22-6-2-7-23-20)15-3-1-8-28(14-15)21-17-5-4-16(13-18(17)24-26-25-21)27-9-11-30-12-10-27/h2,4-7,13,15,19,29H,1,3,8-12,14H2
InChIKeyLBQNLTXEYICICX-UHFFFAOYSA-N
XLogP1.60
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol with MolForge

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Related Compounds

(R)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanol
CID 71571150
6-[hydroxy-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 123268540
(1-ethylpyrazol-4-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 90417459
(5-methoxypyridazin-3-yl)-[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol
CID 123371313
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-(1-propan-2-ylpyrazol-4-yl)methanol
CID 123272311
(S)-4,5-dihydro-1,3-thiazol-2-yl-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203396
(1-methyl-4,5-dihydroimidazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol
CID 71203426
(1S)-1-[(3S)-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-3-yl]ethanol
CID 97250145
4-[4-[3-(3-methylphenyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467766
4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 53467982
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
CID 133397903
4-[4-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 71203364

Frequently Asked Questions

What is the IUPAC name of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol?
The IUPAC name of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol (CID 123428635) is [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol.
What is the SMILES notation for [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol?
The canonical SMILES for [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol is OC(c1ncccn1)C1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1.
What is the InChIKey of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol?
The InChIKey is LBQNLTXEYICICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c29-19(20-22-6-2-7-23-20)15-3-1-8-28(14-15)21-17-5-4-16(13-18(17)24-26-25-21)27-9-11-30-12-10-27/h2,4-7,13,15,19,29H,1,3,8-12,14H2.
What are the key properties of [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol?
[1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol has a molecular weight of 407.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-pyrimidin-2-ylmethanol is sourced from PubChem (CID 123428635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).