4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine

C14H31N3O — CID 55011698

IUPAC4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
SMILESCCN1CCC(CN)(N(CC)C(C)COC)CC1
InChIInChI=1S/C14H31N3O/c1-5-16-9-7-14(12-15,8-10-16)17(6-2)13(3)11-18-4/h13H,5-12,15H2,1-4H3
InChIKeyMDMZYNZASSSIHV-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.16
Rot. Bonds7

About 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine

4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine (PubChem CID 55011698) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
PubChem CID55011698
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine
SMILESCCN1CCC(CN)(N(CC)C(C)COC)CC1
InChIInChI=1S/C14H31N3O/c1-5-16-9-7-14(12-15,8-10-16)17(6-2)13(3)11-18-4/h13H,5-12,15H2,1-4H3
InChIKeyMDMZYNZASSSIHV-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine (CID 55011698) is 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine is CCN1CCC(CN)(N(CC)C(C)COC)CC1.
What is the InChIKey of 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine?
The InChIKey is MDMZYNZASSSIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-16-9-7-14(12-15,8-10-16)17(6-2)13(3)11-18-4/h13H,5-12,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine?
4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine has a molecular weight of 257.42 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,1-diethyl-N-(1-methoxypropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 55011698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).