[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine

C13H26N2O — CID 116520993

IUPAC[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
SMILESCC1(C)CCC(CN2CCC(CN)CC2)O1
InChIInChI=1S/C13H26N2O/c1-13(2)6-3-12(16-13)10-15-7-4-11(9-14)5-8-15/h11-12H,3-10,14H2,1-2H3
InChIKeyGHWJUGVPISLSSS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds3

About [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine

[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 116520993) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
PubChem CID116520993
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine
SMILESCC1(C)CCC(CN2CCC(CN)CC2)O1
InChIInChI=1S/C13H26N2O/c1-13(2)6-3-12(16-13)10-15-7-4-11(9-14)5-8-15/h11-12H,3-10,14H2,1-2H3
InChIKeyGHWJUGVPISLSSS-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 116522163
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 116520991
4-(1-chloroethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 106838012
4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
CID 116524057
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 104889558
1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 104889632
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730
[1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidin-2-yl]methanamine
CID 102784429
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 116523453
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721

Frequently Asked Questions

What is the IUPAC name of [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine (CID 116520993) is [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine is CC1(C)CCC(CN2CCC(CN)CC2)O1.
What is the InChIKey of [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is GHWJUGVPISLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)6-3-12(16-13)10-15-7-4-11(9-14)5-8-15/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine?
[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 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]piperidin-4-yl]methanamine is sourced from PubChem (CID 116520993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).