N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine

C14H30N4 — CID 63896493

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C14H30N4/c1-4-18-7-5-13(6-8-18)15-11-14-12-16(2)9-10-17(14)3/h13-15H,4-12H2,1-3H3
InChIKeyZIWOKJTZDJCHCA-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.31
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine (PubChem CID 63896493) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine
PubChem CID63896493
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C14H30N4/c1-4-18-7-5-13(6-8-18)15-11-14-12-16(2)9-10-17(14)3/h13-15H,4-12H2,1-3H3
InChIKeyZIWOKJTZDJCHCA-UHFFFAOYSA-N
XLogP0.31
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine (CID 63896493) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine is CCN1CCC(NCC2CN(C)CCN2C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine?
The InChIKey is ZIWOKJTZDJCHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-18-7-5-13(6-8-18)15-11-14-12-16(2)9-10-17(14)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 63896493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).