1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine

C14H28N2O — CID 55154989

IUPAC1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN2CCC(C)(C)CC2)O1
InChIInChI=1S/C14H28N2O/c1-14(2)6-8-16(9-7-14)11-13-5-4-12(17-13)10-15-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJVRHZYQFTCMPBO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine

1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine (PubChem CID 55154989) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
PubChem CID55154989
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
SMILESCNCC1CCC(CN2CCC(C)(C)CC2)O1
InChIInChI=1S/C14H28N2O/c1-14(2)6-8-16(9-7-14)11-13-5-4-12(17-13)10-15-3/h12-13,15H,4-11H2,1-3H3
InChIKeyJVRHZYQFTCMPBO-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine (CID 55154989) is 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine is CNCC1CCC(CN2CCC(C)(C)CC2)O1.
What is the InChIKey of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
The InChIKey is JVRHZYQFTCMPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2)6-8-16(9-7-14)11-13-5-4-12(17-13)10-15-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine?
1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4,4-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55154989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).