(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

C19H29NO — CID 135089438

IUPAC(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(C)c(C)c1)C2
InChIInChI=1S/C19H29NO/c1-15-7-8-17(12-16(15)2)13-20-11-5-10-19(14-20)9-4-6-18(19)21-3/h7-8,12,18H,4-6,9-11,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyFCNGHKQTKTZSOC-RTBURBONSA-N
MW287.45 g/mol
LogP4.08
Rot. Bonds3

About (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 135089438) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
PubChem CID135089438
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(C)c(C)c1)C2
InChIInChI=1S/C19H29NO/c1-15-7-8-17(12-16(15)2)13-20-11-5-10-19(14-20)9-4-6-18(19)21-3/h7-8,12,18H,4-6,9-11,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyFCNGHKQTKTZSOC-RTBURBONSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
CID 135096793
(4R,5R)-7-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135094596
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 135100692
(4R,5R)-7-[2-(2,3-dimethylphenoxy)ethyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135109208

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane (CID 135089438) is (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane is CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(C)c(C)c1)C2.
What is the InChIKey of (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is FCNGHKQTKTZSOC-RTBURBONSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-7-8-17(12-16(15)2)13-20-11-5-10-19(14-20)9-4-6-18(19)21-3/h7-8,12,18H,4-6,9-11,13-14H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 287.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 135089438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).