1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine

C18H36N2O — CID 135165028

IUPAC1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
SMILESCC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2O/c1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyURPODZCQNCWTOV-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.39
Rot. Bonds3

About 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine

1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine (PubChem CID 135165028) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
PubChem CID135165028
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
SMILESCC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H36N2O/c1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyURPODZCQNCWTOV-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 58721733
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperazine
CID 153436977
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727141

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine (CID 135165028) is 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine is CC(C)(C)OC1CCN(CC2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine?
The InChIKey is URPODZCQNCWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2,3)20-11-7-15(8-12-20)13-19-10-9-16(14-19)21-18(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine?
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine has a molecular weight of 296.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 135165028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).