3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine

C14H30N2O — CID 63973438

IUPAC3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine
SMILESCOCC1CCN(C(C(C)N)C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(15)13(14(2,3)4)16-8-6-12(7-9-16)10-17-5/h11-13H,6-10,15H2,1-5H3
InChIKeyWERCJYFKSVCKPP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds4

About 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine

3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine (PubChem CID 63973438) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine
PubChem CID63973438
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine
SMILESCOCC1CCN(C(C(C)N)C(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-11(15)13(14(2,3)4)16-8-6-12(7-9-16)10-17-5/h11-13H,6-10,15H2,1-5H3
InChIKeyWERCJYFKSVCKPP-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine?
The IUPAC name of 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine (CID 63973438) is 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine is COCC1CCN(C(C(C)N)C(C)(C)C)CC1.
What is the InChIKey of 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine?
The InChIKey is WERCJYFKSVCKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(15)13(14(2,3)4)16-8-6-12(7-9-16)10-17-5/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine?
3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63973438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).