1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane

C20H33N3O — CID 141180338

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane
SMILESCOc1ccc(CCN2CN(CC(C)C)CC23CCNCC3)cc1
InChIInChI=1S/C20H33N3O/c1-17(2)14-22-15-20(9-11-21-12-10-20)23(16-22)13-8-18-4-6-19(24-3)7-5-18/h4-7,17,21H,8-16H2,1-3H3
InChIKeyWMNUIMDTLKMULG-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.59
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane

1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane (PubChem CID 141180338) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane
PubChem CID141180338
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane
SMILESCOc1ccc(CCN2CN(CC(C)C)CC23CCNCC3)cc1
InChIInChI=1S/C20H33N3O/c1-17(2)14-22-15-20(9-11-21-12-10-20)23(16-22)13-8-18-4-6-19(24-3)7-5-18/h4-7,17,21H,8-16H2,1-3H3
InChIKeyWMNUIMDTLKMULG-UHFFFAOYSA-N
XLogP2.59
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987
2-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 68868109
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 65443258
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperazine
CID 82263292
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 65443657
1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984211
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane (CID 141180338) is 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane is COc1ccc(CCN2CN(CC(C)C)CC23CCNCC3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane?
The InChIKey is WMNUIMDTLKMULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-17(2)14-22-15-20(9-11-21-12-10-20)23(16-22)13-8-18-4-6-19(24-3)7-5-18/h4-7,17,21H,8-16H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane?
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane has a molecular weight of 331.50 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane is sourced from PubChem (CID 141180338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).