3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine

C17H32N2O — CID 114624375

IUPAC3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine
SMILESCC1(C)CC(N2CCCC2C2CCCNC2)C(C)(C)O1
InChIInChI=1S/C17H32N2O/c1-16(2)11-15(17(3,4)20-16)19-10-6-8-14(19)13-7-5-9-18-12-13/h13-15,18H,5-12H2,1-4H3
InChIKeyYIQQWPZRKLEFGV-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds2

About 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine

3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine (PubChem CID 114624375) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine
PubChem CID114624375
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine
SMILESCC1(C)CC(N2CCCC2C2CCCNC2)C(C)(C)O1
InChIInChI=1S/C17H32N2O/c1-16(2)11-15(17(3,4)20-16)19-10-6-8-14(19)13-7-5-9-18-12-13/h13-15,18H,5-12H2,1-4H3
InChIKeyYIQQWPZRKLEFGV-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine
CID 104940335
3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
CID 66272572
1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile
CID 114621886
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
3-[1-(3-methoxycyclohexyl)pyrrolidin-2-yl]piperidine
CID 66274061
4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
CID 79927218
3-(2-piperidin-3-ylpyrrolidin-1-yl)thiolane 1,1-dioxide
CID 66272792
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
3-(1-butan-2-ylpyrrolidin-2-yl)piperidine
CID 66272787
1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60979351
2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60978516

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine (CID 114624375) is 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine is CC1(C)CC(N2CCCC2C2CCCNC2)C(C)(C)O1.
What is the InChIKey of 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine?
The InChIKey is YIQQWPZRKLEFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)11-15(17(3,4)20-16)19-10-6-8-14(19)13-7-5-9-18-12-13/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine?
3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine has a molecular weight of 280.46 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 114624375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).