1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol

C12H22ClNO — CID 112561635

IUPAC1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22ClNO/c13-9-11(15)10-14-7-5-12(6-8-14)3-1-2-4-12/h11,15H,1-10H2
InChIKeyZTHMOFJXNRRIHG-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.24
Rot. Bonds3

About 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol

1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol (PubChem CID 112561635) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol
PubChem CID112561635
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol
SMILESOC(CCl)CN1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22ClNO/c13-9-11(15)10-14-7-5-12(6-8-14)3-1-2-4-12/h11,15H,1-10H2
InChIKeyZTHMOFJXNRRIHG-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Butylpiperidin-1-yl)-3-chloropropan-2-ol
CID 17956067
(2R)-1-(4-butylpiperidin-1-yl)-3-chloropropan-2-ol
CID 68911460
(2S)-1-(4-butylpiperidin-1-yl)-3-chloropropan-2-ol
CID 68911461
1-(8-Azaspiro[4.5]decan-8-yl)propan-2-ol
CID 63159549
(2R)-1-(8-azaspiro[4.5]decan-8-yl)propan-2-ol
CID 103935145
(2S)-1-(8-azaspiro[4.5]decan-8-yl)propan-2-ol
CID 103935146
1-Chloro-3-(3-ethylpiperidin-1-yl)propan-2-ol
CID 112561275
1-(4-Tert-butylpiperidin-1-yl)-3-chloropropan-2-ol
CID 112561562
1-Chloro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 112561569
1-(3-Azaspiro[5.5]undecan-3-yl)-3-chloropropan-2-ol
CID 112561594
1-Chloro-3-(4,4-dimethylpiperidin-1-yl)propan-2-ol
CID 112561596
1-Chloro-3-(4-ethyl-4-methylpiperidin-1-yl)propan-2-ol
CID 112561631

Frequently Asked Questions

What is the IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol?
The IUPAC name of 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol (CID 112561635) is 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol?
The canonical SMILES for 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol is OC(CCl)CN1CCC2(CCCC2)CC1.
What is the InChIKey of 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol?
The InChIKey is ZTHMOFJXNRRIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-9-11(15)10-14-7-5-12(6-8-14)3-1-2-4-12/h11,15H,1-10H2.
What are the key properties of 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol?
1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol has a molecular weight of 231.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol is sourced from PubChem (CID 112561635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).