1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine

C19H38N2O2 — CID 130400155

IUPAC1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine
SMILESCN1CCC(OC(C)(C)CCN2CCC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C19H38N2O2/c1-18(2,3)22-17-9-13-21(15-17)14-10-19(4,5)23-16-7-11-20(6)12-8-16/h16-17H,7-15H2,1-6H3
InChIKeyLWPCAVIISLZVJM-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.16
Rot. Bonds6

About 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine

1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine (PubChem CID 130400155) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine
PubChem CID130400155
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine
SMILESCN1CCC(OC(C)(C)CCN2CCC(OC(C)(C)C)C2)CC1
InChIInChI=1S/C19H38N2O2/c1-18(2,3)22-17-9-13-21(15-17)14-10-19(4,5)23-16-7-11-20(6)12-8-16/h16-17H,7-15H2,1-6H3
InChIKeyLWPCAVIISLZVJM-UHFFFAOYSA-N
XLogP3.16
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-Ethyl-4,4-difluoropyrrolidin-3-yl)oxyethyl]piperidine;propane
CID 170606723
1-[2-(1-Ethylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
CID 170606737
1-[2-(1-Ethylpyrrolidin-3-yl)oxyethyl]-4,4-difluoropiperidine;propane
CID 170606751
Ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
CID 170606813
4-Methoxy-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 57845691
2,9-Dimethyl-6-oxa-2,9-diazaspiro[4.5]decane
CID 72490273
2,8-Dimethyl-3-(2-propylpentyl)-1-oxa-3,8-diazaspiro[4.5]decane
CID 90737757
1-(2-Methoxyethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 118688857
Tert-butyl 3-(3-piperidin-1-ylpropoxy)pyrrolidine-1-carboxylate
CID 123961444
1-[2-[(3R)-1-methylpyrrolidin-3-yl]oxyethyl]piperidine
CID 129180825
1-Methyl-4-[4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yloxy]piperidine
CID 130178505
1-[3-Ethoxy-3-methyl-2-[(2-methylpropan-2-yl)oxy]butyl]piperidine
CID 130196443

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine?
The IUPAC name of 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine (CID 130400155) is 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine.
What is the SMILES notation for 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine?
The canonical SMILES for 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine is CN1CCC(OC(C)(C)CCN2CCC(OC(C)(C)C)C2)CC1.
What is the InChIKey of 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine?
The InChIKey is LWPCAVIISLZVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-18(2,3)22-17-9-13-21(15-17)14-10-19(4,5)23-16-7-11-20(6)12-8-16/h16-17H,7-15H2,1-6H3.
What are the key properties of 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine?
1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine has a molecular weight of 326.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine is sourced from PubChem (CID 130400155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).