4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine

C14H30N4O — CID 134321587

IUPAC4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine
SMILESCOC1(CN(C)C)CCN(C2CCNCC2N)CC1
InChIInChI=1S/C14H30N4O/c1-17(2)11-14(19-3)5-8-18(9-6-14)13-4-7-16-10-12(13)15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyZLXBYDOMQWTYJF-UHFFFAOYSA-N
MW270.42 g/mol
LogP-0.28
Rot. Bonds4

About 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine

4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine (PubChem CID 134321587) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine
PubChem CID134321587
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine
SMILESCOC1(CN(C)C)CCN(C2CCNCC2N)CC1
InChIInChI=1S/C14H30N4O/c1-17(2)11-14(19-3)5-8-18(9-6-14)13-4-7-16-10-12(13)15/h12-13,16H,4-11,15H2,1-3H3
InChIKeyZLXBYDOMQWTYJF-UHFFFAOYSA-N
XLogP-0.28
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine?
The IUPAC name of 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine (CID 134321587) is 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine is COC1(CN(C)C)CCN(C2CCNCC2N)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine?
The InChIKey is ZLXBYDOMQWTYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-17(2)11-14(19-3)5-8-18(9-6-14)13-4-7-16-10-12(13)15/h12-13,16H,4-11,15H2,1-3H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine?
4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine has a molecular weight of 270.42 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]piperidin-3-amine is sourced from PubChem (CID 134321587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).