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

C17H32N2O — CID 79927218

IUPAC4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
SMILESCC1(C)CC(N2CCC(C3CCCN3)CC2)C(C)(C)O1
InChIInChI=1S/C17H32N2O/c1-16(2)12-15(17(3,4)20-16)19-10-7-13(8-11-19)14-6-5-9-18-14/h13-15,18H,5-12H2,1-4H3
InChIKeyXIHKMZNSGCSQQR-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.80
Rot. Bonds2

About 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine

4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine (PubChem CID 79927218) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine.

Molecular Properties

Compound Name4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
PubChem CID79927218
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine
SMILESCC1(C)CC(N2CCC(C3CCCN3)CC2)C(C)(C)O1
InChIInChI=1S/C17H32N2O/c1-16(2)12-15(17(3,4)20-16)19-10-7-13(8-11-19)14-6-5-9-18-14/h13-15,18H,5-12H2,1-4H3
InChIKeyXIHKMZNSGCSQQR-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

2-(2,2,5,5-tetramethyloxolan-3-yl)azepane
CID 114624050
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-4-carboxylic acid
CID 79933599
3-[1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidin-2-yl]piperidine
CID 114624375
1-(2,2,5,5-tetramethyloxolan-3-yl)piperazine-2-carbonitrile
CID 114621886
1-(2,3-dimethylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
CID 64755585
1-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 79934218
1-(2-methylthiolan-3-yl)-4-pyrrolidin-2-ylpiperidine
CID 114080199
(4-pyrrolidin-2-ylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477511
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120835043
2-cyclopentylpyrrolidine
CID 4031549
1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine-3-carbothioamide
CID 114621322
1-(4-propylcyclohexyl)-4-pyrrolidin-2-ylpiperidine
CID 63259630

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine?
The IUPAC name of 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine (CID 79927218) is 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine.
What is the SMILES notation for 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine?
The canonical SMILES for 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine is CC1(C)CC(N2CCC(C3CCCN3)CC2)C(C)(C)O1.
What is the InChIKey of 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine?
The InChIKey is XIHKMZNSGCSQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-16(2)12-15(17(3,4)20-16)19-10-7-13(8-11-19)14-6-5-9-18-14/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine?
4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-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 4-pyrrolidin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)piperidine is sourced from PubChem (CID 79927218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).