(4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

C16H22ClNO2 — CID 165427452

IUPAC(4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESOc1cccc(CN2CCC[C@]3(CCC[C@H]3O)C2)c1Cl
InChIInChI=1S/C16H22ClNO2/c17-15-12(4-1-5-13(15)19)10-18-9-3-8-16(11-18)7-2-6-14(16)20/h1,4-5,14,19-20H,2-3,6-11H2/t14-,16-/m1/s1
InChIKeyRYPBALRBKZXBRA-GDBMZVCRSA-N
MW295.81 g/mol
LogP3.17
Rot. Bonds2

About (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 165427452) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID165427452
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESOc1cccc(CN2CCC[C@]3(CCC[C@H]3O)C2)c1Cl
InChIInChI=1S/C16H22ClNO2/c17-15-12(4-1-5-13(15)19)10-18-9-3-8-16(11-18)7-2-6-14(16)20/h1,4-5,14,19-20H,2-3,6-11H2/t14-,16-/m1/s1
InChIKeyRYPBALRBKZXBRA-GDBMZVCRSA-N
XLogP3.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol (CID 165427452) is (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol is Oc1cccc(CN2CCC[C@]3(CCC[C@H]3O)C2)c1Cl.
What is the InChIKey of (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is RYPBALRBKZXBRA-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-15-12(4-1-5-13(15)19)10-18-9-3-8-16(11-18)7-2-6-14(16)20/h1,4-5,14,19-20H,2-3,6-11H2/t14-,16-/m1/s1.
What are the key properties of (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 295.81 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(2-chloro-3-hydroxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 165427452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).