1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]

C23H27NO3 — CID 30979223

IUPAC1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
SMILESCOc1cc(OC)c(OC)cc1CN1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C23H27NO3/c1-25-20-15-22(27-3)21(26-2)14-18(20)16-24-12-10-23(11-13-24)9-8-17-6-4-5-7-19(17)23/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeyHRPGSHSZVAUYET-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.27
Rot. Bonds5

About 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]

1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] (PubChem CID 30979223) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
PubChem CID30979223
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
SMILESCOc1cc(OC)c(OC)cc1CN1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C23H27NO3/c1-25-20-15-22(27-3)21(26-2)14-18(20)16-24-12-10-23(11-13-24)9-8-17-6-4-5-7-19(17)23/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeyHRPGSHSZVAUYET-UHFFFAOYSA-N
XLogP4.27
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 40554527
1'-[(4-methoxy-3-methylphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 23961281
3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)chromen-4-one
CID 40515201
[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1H-pyrrol-2-yl]methyl methanesulfonate
CID 141296715
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 42455200
6-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)pyridine-2-carboxylic acid
CID 122558950
1'-phenylspiro[indene-1,4'-piperidine]
CID 140556311
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3150606
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
2-(4-fluorophenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 26322515
1-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1126262

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] (CID 30979223) is 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] is COc1cc(OC)c(OC)cc1CN1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
The InChIKey is HRPGSHSZVAUYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-25-20-15-22(27-3)21(26-2)14-18(20)16-24-12-10-23(11-13-24)9-8-17-6-4-5-7-19(17)23/h4-9,14-15H,10-13,16H2,1-3H3.
What are the key properties of 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] has a molecular weight of 365.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 30979223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).