1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine

C14H30N2O — CID 55098231

IUPAC1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCN1CCC(OC)CC1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15-4)8-11-16-9-6-12(17-5)7-10-16/h12-13,15H,6-11H2,1-5H3
InChIKeyWHIVUECHPDIFHN-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine

1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine (PubChem CID 55098231) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine
PubChem CID55098231
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCN1CCC(OC)CC1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15-4)8-11-16-9-6-12(17-5)7-10-16/h12-13,15H,6-11H2,1-5H3
InChIKeyWHIVUECHPDIFHN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine (CID 55098231) is 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine is CNC(CCN1CCC(OC)CC1)C(C)(C)C.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is WHIVUECHPDIFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)13(15-4)8-11-16-9-6-12(17-5)7-10-16/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine?
1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 55098231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).