4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine

C13H26N2O — CID 117046241

IUPAC4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
SMILESCC(C)(C)N1CCC(OC2CCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)15-9-6-12(10-15)16-11-4-7-14-8-5-11/h11-12,14H,4-10H2,1-3H3
InChIKeyPYACBXOIFHCDNA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds2

About 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine

4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine (PubChem CID 117046241) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine.

Molecular Properties

Compound Name4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
PubChem CID117046241
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine
SMILESCC(C)(C)N1CCC(OC2CCNCC2)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)15-9-6-12(10-15)16-11-4-7-14-8-5-11/h11-12,14H,4-10H2,1-3H3
InChIKeyPYACBXOIFHCDNA-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-piperidin-4-yloxypiperidine;hydrochloride
CID 84819365
ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 170629571
(3S)-1-methyl-3-piperidin-4-yloxypiperidine
CID 97181123
4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
4-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxypiperidine
CID 117046296
(3S)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651705
(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651654
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxymethanimine
CID 129267612
1-tert-butyl-4-[1-(oxetan-3-yl)azetidin-3-yl]oxypiperidine
CID 171761936
4-piperidin-4-yloxypiperidine-1-carboxylic acid
CID 69156881
4-[(1R,3R)-3-piperidin-4-yloxycyclopentyl]oxypiperidine
CID 165137114
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine?
The IUPAC name of 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine (CID 117046241) is 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine.
What is the SMILES notation for 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine?
The canonical SMILES for 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine is CC(C)(C)N1CCC(OC2CCNCC2)C1.
What is the InChIKey of 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine?
The InChIKey is PYACBXOIFHCDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)15-9-6-12(10-15)16-11-4-7-14-8-5-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine?
4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrrolidin-3-yl)oxypiperidine is sourced from PubChem (CID 117046241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).