6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol

C17H24BrN3O2 — CID 163265443

IUPAC6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
SMILESOC1CC2(C1)CC(Nc1cc(CN3CCOCC3)cc(Br)n1)C2
InChIInChI=1S/C17H24BrN3O2/c18-15-5-12(11-21-1-3-23-4-2-21)6-16(20-15)19-13-7-17(8-13)9-14(22)10-17/h5-6,13-14,22H,1-4,7-11H2,(H,19,20)
InChIKeyRXHWALWYNJJSSD-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.39
Rot. Bonds4

About 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol

6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol (PubChem CID 163265443) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol.

Molecular Properties

Compound Name6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
PubChem CID163265443
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
SMILESOC1CC2(C1)CC(Nc1cc(CN3CCOCC3)cc(Br)n1)C2
InChIInChI=1S/C17H24BrN3O2/c18-15-5-12(11-21-1-3-23-4-2-21)6-16(20-15)19-13-7-17(8-13)9-14(22)10-17/h5-6,13-14,22H,1-4,7-11H2,(H,19,20)
InChIKeyRXHWALWYNJJSSD-UHFFFAOYSA-N
XLogP2.39
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
The IUPAC name of 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol (CID 163265443) is 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol.
What is the SMILES notation for 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
The canonical SMILES for 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol is OC1CC2(C1)CC(Nc1cc(CN3CCOCC3)cc(Br)n1)C2.
What is the InChIKey of 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
The InChIKey is RXHWALWYNJJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c18-15-5-12(11-21-1-3-23-4-2-21)6-16(20-15)19-13-7-17(8-13)9-14(22)10-17/h5-6,13-14,22H,1-4,7-11H2,(H,19,20).
What are the key properties of 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol?
6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol has a molecular weight of 382.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-bromo-4-(morpholin-4-ylmethyl)-2-pyridinyl]amino]spiro[3.3]heptan-2-ol is sourced from PubChem (CID 163265443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).