1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine

C15H32N4 — CID 54860823

IUPAC1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCCN1CCN(C)CC1
InChIInChI=1S/C15H32N4/c1-13-12-18(4)14(2)11-15(13)16-5-6-19-9-7-17(3)8-10-19/h13-16H,5-12H2,1-4H3
InChIKeyXYNQPHHVKRXDJF-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.55
Rot. Bonds4

About 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine

1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 54860823) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID54860823
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCCN1CCN(C)CC1
InChIInChI=1S/C15H32N4/c1-13-12-18(4)14(2)11-15(13)16-5-6-19-9-7-17(3)8-10-19/h13-16H,5-12H2,1-4H3
InChIKeyXYNQPHHVKRXDJF-UHFFFAOYSA-N
XLogP0.55
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 54860823) is 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is CC1CN(C)C(C)CC1NCCN1CCN(C)CC1.
What is the InChIKey of 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is XYNQPHHVKRXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-13-12-18(4)14(2)11-15(13)16-5-6-19-9-7-17(3)8-10-19/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine?
1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 268.45 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 54860823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).