1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine

C16H30N2O — CID 116522866

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCC1(C)CCC(CN2CCCCC2C2CCCN2)O1
InChIInChI=1S/C16H30N2O/c1-16(2)9-8-13(19-16)12-18-11-4-3-7-15(18)14-6-5-10-17-14/h13-15,17H,3-12H2,1-2H3
InChIKeyMELYIEQGWPNLML-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds3

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine

1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine (PubChem CID 116522866) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
PubChem CID116522866
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
SMILESCC1(C)CCC(CN2CCCCC2C2CCCN2)O1
InChIInChI=1S/C16H30N2O/c1-16(2)9-8-13(19-16)12-18-11-4-3-7-15(18)14-6-5-10-17-14/h13-15,17H,3-12H2,1-2H3
InChIKeyMELYIEQGWPNLML-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
CID 116525280
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
1-[(2-methylcyclohexyl)methyl]-2-piperidin-2-ylpiperidine
CID 163172242
(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 104889620
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 116522147
1-[(2-fluorocyclohexyl)methyl]-2-piperidin-2-ylpiperidine
CID 163123470
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 116522148
2,5-dicyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524565
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-2-ol
CID 63254458
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659
4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581230
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine (CID 116522866) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine is CC1(C)CCC(CN2CCCCC2C2CCCN2)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
The InChIKey is MELYIEQGWPNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2)9-8-13(19-16)12-18-11-4-3-7-15(18)14-6-5-10-17-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine?
1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine has a molecular weight of 266.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 116522866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).