4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine

C13H26N2O — CID 63973090

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCOCC1CCN(C2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2O/c1-16-10-11-6-8-15(9-7-11)13-4-2-12(14)3-5-13/h11-13H,2-10,14H2,1H3
InChIKeyMCLQYOODQSECEX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds3

About 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine

4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine (PubChem CID 63973090) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine
PubChem CID63973090
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine
SMILESCOCC1CCN(C2CCC(N)CC2)CC1
InChIInChI=1S/C13H26N2O/c1-16-10-11-6-8-15(9-7-11)13-4-2-12(14)3-5-13/h11-13H,2-10,14H2,1H3
InChIKeyMCLQYOODQSECEX-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine (CID 63973090) is 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine is COCC1CCN(C2CCC(N)CC2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine?
The InChIKey is MCLQYOODQSECEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-10-11-6-8-15(9-7-11)13-4-2-12(14)3-5-13/h11-13H,2-10,14H2,1H3.
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine?
4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine 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 4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 63973090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).