3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol

C15H20ClNO2 — CID 71713916

IUPAC3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
SMILESOCCCN1CCC2(CC1)Cc1cc(Cl)ccc1O2
InChIInChI=1S/C15H20ClNO2/c16-13-2-3-14-12(10-13)11-15(19-14)4-7-17(8-5-15)6-1-9-18/h2-3,10,18H,1,4-9,11H2
InChIKeyUZGCUUWGFQJXGX-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.49
Rot. Bonds3

About 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol

3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol (PubChem CID 71713916) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
PubChem CID71713916
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol
SMILESOCCCN1CCC2(CC1)Cc1cc(Cl)ccc1O2
InChIInChI=1S/C15H20ClNO2/c16-13-2-3-14-12(10-13)11-15(19-14)4-7-17(8-5-15)6-1-9-18/h2-3,10,18H,1,4-9,11H2
InChIKeyUZGCUUWGFQJXGX-UHFFFAOYSA-N
XLogP2.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1'-(4,4-diphenylbutyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318086
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
2-(6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1'-yl)ethanamine
CID 82047498
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 121418637
[2-[2-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]anilino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 67160703
(2R)-1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 11327091
ethane;1'-(2-fluoroethyl)-5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 145338251
tert-butyl 2-[5-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-2-methyl-4-(methylcarbamoyl)phenoxy]-2-methylpropanoate
CID 143746721
(2R)-1-(4-chloro-3-ethylphenoxy)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-2-ol
CID 11178070
[4-[(2R)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 69018158
1-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-3-quinolin-8-yloxypropan-2-ol
CID 11316232
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol?
The IUPAC name of 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol (CID 71713916) is 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol.
What is the SMILES notation for 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol?
The canonical SMILES for 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol is OCCCN1CCC2(CC1)Cc1cc(Cl)ccc1O2.
What is the InChIKey of 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol?
The InChIKey is UZGCUUWGFQJXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c16-13-2-3-14-12(10-13)11-15(19-14)4-7-17(8-5-15)6-1-9-18/h2-3,10,18H,1,4-9,11H2.
What are the key properties of 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol?
3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol has a molecular weight of 281.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-1-ol is sourced from PubChem (CID 71713916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).