4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine

C16H30N2O — CID 116525280

IUPAC4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
SMILESCC1(C)CCC(CN2CCCC2C2CCNCC2)O1
InChIInChI=1S/C16H30N2O/c1-16(2)8-5-14(19-16)12-18-11-3-4-15(18)13-6-9-17-10-7-13/h13-15,17H,3-12H2,1-2H3
InChIKeySTAQMLYFWCJYCS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds3

About 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine

4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine (PubChem CID 116525280) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
PubChem CID116525280
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine
SMILESCC1(C)CCC(CN2CCCC2C2CCNCC2)O1
InChIInChI=1S/C16H30N2O/c1-16(2)8-5-14(19-16)12-18-11-3-4-15(18)13-6-9-17-10-7-13/h13-15,17H,3-12H2,1-2H3
InChIKeySTAQMLYFWCJYCS-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyrrolidin-2-ylpiperidine
CID 116522866
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659
2,5-dicyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]piperazine
CID 116524565
1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine-2-carbonitrile
CID 116521813
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116522898
1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane
CID 64852197
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 116522147
(3aS,6aS)-5-[(5,5-dimethyloxolan-2-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 104889620
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpiperazine
CID 116522884
1-[(5,5-dimethyloxolan-2-yl)methyl]-3,3-dimethylpiperazine
CID 116524419
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 116522148

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine (CID 116525280) is 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine is CC1(C)CCC(CN2CCCC2C2CCNCC2)O1.
What is the InChIKey of 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine?
The InChIKey is STAQMLYFWCJYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2)8-5-14(19-16)12-18-11-3-4-15(18)13-6-9-17-10-7-13/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine?
4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 116525280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).