(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

C16H21Cl2NO — CID 135091462

IUPAC(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@]12CCCN(Cc1c(Cl)cccc1Cl)C2
InChIInChI=1S/C16H21Cl2NO/c17-13-4-1-5-14(18)12(13)10-19-9-3-8-16(11-19)7-2-6-15(16)20/h1,4-5,15,20H,2-3,6-11H2/t15-,16-/m1/s1
InChIKeyHPVUBOZMZLYZPQ-HZPDHXFCSA-N
MW314.26 g/mol
LogP4.12
Rot. Bonds2

About (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 135091462) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID135091462
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@]12CCCN(Cc1c(Cl)cccc1Cl)C2
InChIInChI=1S/C16H21Cl2NO/c17-13-4-1-5-14(18)12(13)10-19-9-3-8-16(11-19)7-2-6-15(16)20/h1,4-5,15,20H,2-3,6-11H2/t15-,16-/m1/s1
InChIKeyHPVUBOZMZLYZPQ-HZPDHXFCSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
8-chloro-2-[[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-quinolin-4-one
CID 135117930
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
3-[[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methyl]-1H-pyridin-2-one
CID 165420515
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091515
(4R,5S)-7-[[3-(4-piperidin-1-ylbutoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424125
(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165417589
(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
CID 135120621

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol (CID 135091462) is (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol is O[C@@H]1CCC[C@]12CCCN(Cc1c(Cl)cccc1Cl)C2.
What is the InChIKey of (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is HPVUBOZMZLYZPQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c17-13-4-1-5-14(18)12(13)10-19-9-3-8-16(11-19)7-2-6-15(16)20/h1,4-5,15,20H,2-3,6-11H2/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 314.26 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135091462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).