1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine

C16H33N3O — CID 139475119

IUPAC1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
SMILESCOCCN1CC[C@H](CN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H33N3O/c1-16(2,3)19-9-7-18(8-10-19)14-15-5-6-17(13-15)11-12-20-4/h15H,5-14H2,1-4H3/t15-/m0/s1
InChIKeyMLNZDOKBMZPFDU-HNNXBMFYSA-N
MW283.46 g/mol
LogP1.37
Rot. Bonds5

About 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine

1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine (PubChem CID 139475119) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
PubChem CID139475119
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
SMILESCOCCN1CC[C@H](CN2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C16H33N3O/c1-16(2,3)19-9-7-18(8-10-19)14-15-5-6-17(13-15)11-12-20-4/h15H,5-14H2,1-4H3/t15-/m0/s1
InChIKeyMLNZDOKBMZPFDU-HNNXBMFYSA-N
XLogP1.37
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine
CID 142407871
1-[2,5-dimethyl-5-[4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]hexan-2-yl]-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine
CID 146526531
(2S,6R)-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine
CID 29183665
1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine (CID 139475119) is 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine is COCCN1CC[C@H](CN2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine?
The InChIKey is MLNZDOKBMZPFDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(2,3)19-9-7-18(8-10-19)14-15-5-6-17(13-15)11-12-20-4/h15H,5-14H2,1-4H3/t15-/m0/s1.
What are the key properties of 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine?
1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine has a molecular weight of 283.46 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 139475119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).