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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Related Compounds

4-[[6-bromo-4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 163265461
6-[[4-(morpholin-4-ylmethyl)-6-[[5-(2-phenyltetrazol-5-yl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]spiro[3.3]heptan-2-ol
CID 163265417
tert-butyl 4-[[2-bromo-6-[(4-hydroxycyclohexyl)amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 163265449
N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
CID 58285180
N-chloro-4-(morpholin-4-ylmethyl)pyridin-2-amine
CID 87380885
[4-(morpholin-4-ylmethyl)-2-pyridinyl]methanol
CID 18799862
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
1-[3-[[4-(morpholin-4-ylmethyl)-6-(pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-one
CID 156562934
4-[(3-bromo-5-fluorophenyl)methyl]morpholine
CID 79673314
3-[[4-(morpholin-4-ylmethyl)-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 156562942
4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 55139785

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).