(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane

C22H34N2O — CID 135109711

IUPAC(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccc(C)cc3)CC1)C2
InChIInChI=1S/C22H34N2O/c1-18-6-8-19(9-7-18)23-15-10-20(11-16-23)24-14-4-13-22(17-24)12-3-5-21(22)25-2/h6-9,20-21H,3-5,10-17H2,1-2H3/t21-,22-/m1/s1
InChIKeyNPVXIFBHWZKVJD-FGZHOGPDSA-N
MW342.53 g/mol
LogP4.24
Rot. Bonds3

About (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane

(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane (PubChem CID 135109711) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
PubChem CID135109711
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccc(C)cc3)CC1)C2
InChIInChI=1S/C22H34N2O/c1-18-6-8-19(9-7-18)23-15-10-20(11-16-23)24-14-4-13-22(17-24)12-3-5-21(22)25-2/h6-9,20-21H,3-5,10-17H2,1-2H3/t21-,22-/m1/s1
InChIKeyNPVXIFBHWZKVJD-FGZHOGPDSA-N
XLogP4.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-4-methoxy-7-[1-(3-methoxyphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane
CID 135108773
(4R,5R)-7-[1-(4-fluorophenyl)piperidin-4-yl]-7-azaspiro[4.5]decan-4-ol
CID 135117835
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
(4R,5S)-4-methoxy-7-(2-methoxy-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decane
CID 135108128
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
[(3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-3-yl]methanol
CID 97130641
1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171070298
9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
CID 45222559
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane (CID 135109711) is (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane is CO[C@@H]1CCC[C@]12CCCN(C1CCN(c3ccc(C)cc3)CC1)C2.
What is the InChIKey of (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
The InChIKey is NPVXIFBHWZKVJD-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H34N2O/c1-18-6-8-19(9-7-18)23-15-10-20(11-16-23)24-14-4-13-22(17-24)12-3-5-21(22)25-2/h6-9,20-21H,3-5,10-17H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane?
(4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane has a molecular weight of 342.53 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methoxy-7-[1-(4-methylphenyl)piperidin-4-yl]-7-azaspiro[4.5]decane is sourced from PubChem (CID 135109711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).