1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine

C13H26N2O2 — CID 113450335

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(CC2(OC)CCOC2)CC1C
InChIInChI=1S/C13H26N2O2/c1-11-8-15(6-4-12(11)14-2)9-13(16-3)5-7-17-10-13/h11-12,14H,4-10H2,1-3H3
InChIKeyPJEKEBNLWZNRKI-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds4

About 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine

1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine (PubChem CID 113450335) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
PubChem CID113450335
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(CC2(OC)CCOC2)CC1C
InChIInChI=1S/C13H26N2O2/c1-11-8-15(6-4-12(11)14-2)9-13(16-3)5-7-17-10-13/h11-12,14H,4-10H2,1-3H3
InChIKeyPJEKEBNLWZNRKI-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
1-[(3-methoxyoxolan-3-yl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 104761957
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
CID 104766369
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662772
3-tert-butyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 104766407
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
N,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910883
N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 104706035

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine (CID 113450335) is 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine is CNC1CCN(CC2(OC)CCOC2)CC1C.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The InChIKey is PJEKEBNLWZNRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11-8-15(6-4-12(11)14-2)9-13(16-3)5-7-17-10-13/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine?
1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine has a molecular weight of 242.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 113450335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).