[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine

C14H28N2O — CID 114960162

IUPAC[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CC(N2CCC(C)C(CN)C2)CC(C)O1
InChIInChI=1S/C14H28N2O/c1-10-4-5-16(9-13(10)8-15)14-6-11(2)17-12(3)7-14/h10-14H,4-9,15H2,1-3H3
InChIKeyRQXCHCGHXPKRNX-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.86
Rot. Bonds2

About [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine

[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960162) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114960162
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CC(N2CCC(C)C(CN)C2)CC(C)O1
InChIInChI=1S/C14H28N2O/c1-10-4-5-16(9-13(10)8-15)14-6-11(2)17-12(3)7-14/h10-14H,4-9,15H2,1-3H3
InChIKeyRQXCHCGHXPKRNX-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
CID 106823035
[1-(1,2-dimethylpiperidin-4-yl)-4-methylpiperidin-3-yl]methanamine
CID 114960031
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
[4-methyl-1-(1-propan-2-ylazepan-4-yl)piperidin-3-yl]methanamine
CID 114960152
[1-(2,5-dimethylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114959766
[4-(2,6-dimethyloxan-4-yl)morpholin-2-yl]methanamine
CID 114397826
[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methylpiperidin-3-yl]methanamine
CID 114959788
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]cyclopentan-1-ol
CID 114961215
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine (CID 114960162) is [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine is CC1CC(N2CCC(C)C(CN)C2)CC(C)O1.
What is the InChIKey of [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is RQXCHCGHXPKRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10-4-5-16(9-13(10)8-15)14-6-11(2)17-12(3)7-14/h10-14H,4-9,15H2,1-3H3.
What are the key properties of [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine?
[1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethyloxan-4-yl)-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).