8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone

C17H22ClNO — CID 63158833

IUPAC8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
SMILESO=C(c1ccc(CCl)cc1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H22ClNO/c18-13-14-3-5-15(6-4-14)16(20)19-11-9-17(10-12-19)7-1-2-8-17/h3-6H,1-2,7-13H2
InChIKeyYAEGLNGHNWHNBR-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.22
Rot. Bonds2

About 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone

8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone (PubChem CID 63158833) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone.

Molecular Properties

Compound Name8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
PubChem CID63158833
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone
SMILESO=C(c1ccc(CCl)cc1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H22ClNO/c18-13-14-3-5-15(6-4-14)16(20)19-11-9-17(10-12-19)7-1-2-8-17/h3-6H,1-2,7-13H2
InChIKeyYAEGLNGHNWHNBR-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-azaspiro[5.5]undecan-3-yl-[4-(bromomethyl)phenyl]methanone
CID 102851630
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
methyl 4-[4-(chloromethyl)benzoyl]piperazine-1-carboxylate
CID 61042721
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
8-azaspiro[4.5]decan-8-yl-(4-bromo-3-chlorophenyl)methanone
CID 81307681
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
4-(3-azaspiro[5.5]undecan-3-ylmethyl)benzoic acid
CID 62935868
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-pyridinyl)methanone
CID 63977651
(6-amino-3-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63162100

Frequently Asked Questions

What is the IUPAC name of 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone?
The IUPAC name of 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone (CID 63158833) is 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone.
What is the SMILES notation for 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone?
The canonical SMILES for 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone is O=C(c1ccc(CCl)cc1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone?
The InChIKey is YAEGLNGHNWHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-13-14-3-5-15(6-4-14)16(20)19-11-9-17(10-12-19)7-1-2-8-17/h3-6H,1-2,7-13H2.
What are the key properties of 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone?
8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone has a molecular weight of 291.82 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azaspiro[4.5]decan-8-yl-[4-(chloromethyl)phenyl]methanone is sourced from PubChem (CID 63158833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).