(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol

C23H31NO2 — CID 135091515

IUPAC(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCCCOc1ccc2ccccc2c1CN1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C23H31NO2/c1-2-15-26-21-11-10-18-7-3-4-8-19(18)20(21)16-24-14-6-13-23(17-24)12-5-9-22(23)25/h3-4,7-8,10-11,22,25H,2,5-6,9,12-17H2,1H3/t22-,23-/m1/s1
InChIKeyDXTJGIZPRAIMNJ-DHIUTWEWSA-N
MW353.51 g/mol
LogP4.76
Rot. Bonds5

About (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 135091515) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID135091515
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCCCOc1ccc2ccccc2c1CN1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C23H31NO2/c1-2-15-26-21-11-10-18-7-3-4-8-19(18)20(21)16-24-14-6-13-23(17-24)12-5-9-22(23)25/h3-4,7-8,10-11,22,25H,2,5-6,9,12-17H2,1H3/t22-,23-/m1/s1
InChIKeyDXTJGIZPRAIMNJ-DHIUTWEWSA-N
XLogP4.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
(4R,5R)-7-[(6-methoxy-2-pyridinyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165425706
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(2-propoxynaphthalen-1-yl)methyl]methanamine
CID 29241758
1-ethyl-2-propoxynaphthalene
CID 129259410
(3S,4R)-1-[(2-propoxynaphthalen-1-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134698944
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130
(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165417589
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135094948
N-[[2-(2-pyrrolidin-1-ylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 39313180

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol (CID 135091515) is (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol is CCCOc1ccc2ccccc2c1CN1CCC[C@]2(CCC[C@H]2O)C1.
What is the InChIKey of (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is DXTJGIZPRAIMNJ-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H31NO2/c1-2-15-26-21-11-10-18-7-3-4-8-19(18)20(21)16-24-14-6-13-23(17-24)12-5-9-22(23)25/h3-4,7-8,10-11,22,25H,2,5-6,9,12-17H2,1H3/t22-,23-/m1/s1.
What are the key properties of (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 353.51 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(2-propoxynaphthalen-1-yl)methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135091515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).