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

C19H38N2O2 — CID 134582325

IUPAC4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine
SMILESCC(C)(C)ON1CCC(OCCN2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2O2/c1-18(2,3)16-7-10-20(11-8-16)13-14-22-17-9-12-21(15-17)23-19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyHTMFCYQWHVRQKG-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.57
Rot. Bonds5

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

4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine (PubChem CID 134582325) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine
PubChem CID134582325
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine
SMILESCC(C)(C)ON1CCC(OCCN2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C19H38N2O2/c1-18(2,3)16-7-10-20(11-8-16)13-14-22-17-9-12-21(15-17)23-19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyHTMFCYQWHVRQKG-UHFFFAOYSA-N
XLogP3.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1-[[(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperidine
CID 135174763
4-Tert-butyl-2-[(3-tert-butyl-4-methoxypyrrolidin-1-yl)methyl]morpholine
CID 167252830
(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane
CID 176678662

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine?
The IUPAC name of 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine (CID 134582325) is 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine is CC(C)(C)ON1CCC(OCCN2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine?
The InChIKey is HTMFCYQWHVRQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-18(2,3)16-7-10-20(11-8-16)13-14-22-17-9-12-21(15-17)23-19(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine?
4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine has a molecular weight of 326.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 134582325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).