1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine

C13H27N3O — CID 43608746

IUPAC1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)12-3-7-16(8-4-12)13(11-14)5-9-17-10-6-13/h12H,3-11,14H2,1-2H3
InChIKeyOGFJBPHXPIXMSN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds3

About 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine

1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 43608746) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID43608746
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2(CN)CCOCC2)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)12-3-7-16(8-4-12)13(11-14)5-9-17-10-6-13/h12H,3-11,14H2,1-2H3
InChIKeyOGFJBPHXPIXMSN-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 115999034
1-[1-(aminomethyl)-3-ethylcyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 64501374
1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[4-(4-methyl-1,4-diazepan-1-yl)oxan-4-yl]methanamine
CID 43608698
1-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-N,N-dimethylpiperidin-4-amine
CID 60797130
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
[4-methyl-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 62987611
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63166067
[3-(3-methylpyrrolidin-1-yl)oxolan-3-yl]methanamine
CID 63335279
1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 65088382
[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)oxan-4-yl]methanamine
CID 55166748

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine (CID 43608746) is 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2(CN)CCOCC2)CC1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is OGFJBPHXPIXMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)12-3-7-16(8-4-12)13(11-14)5-9-17-10-6-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine?
1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43608746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).