(E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine

C15H30N4 — CID 143378344

IUPAC(E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine
SMILESC/C(N)=C\CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C15H30N4/c1-15(16)5-8-18-10-13-19(14-11-18)12-9-17-6-3-2-4-7-17/h5H,2-4,6-14,16H2,1H3/b15-5+
InChIKeyOINUYKQCBUUBNS-PJQLUOCWSA-N
MW266.43 g/mol
LogP0.95
Rot. Bonds5

About (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine

(E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine (PubChem CID 143378344) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine
PubChem CID143378344
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name(E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine
SMILESC/C(N)=C\CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C15H30N4/c1-15(16)5-8-18-10-13-19(14-11-18)12-9-17-6-3-2-4-7-17/h5H,2-4,6-14,16H2,1H3/b15-5+
InChIKeyOINUYKQCBUUBNS-PJQLUOCWSA-N
XLogP0.95
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine?
The IUPAC name of (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine (CID 143378344) is (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine.
What is the SMILES notation for (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine?
The canonical SMILES for (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine is C/C(N)=C\CN1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine?
The InChIKey is OINUYKQCBUUBNS-PJQLUOCWSA-N. The full InChI is InChI=1S/C15H30N4/c1-15(16)5-8-18-10-13-19(14-11-18)12-9-17-6-3-2-4-7-17/h5H,2-4,6-14,16H2,1H3/b15-5+.
What are the key properties of (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine?
(E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine has a molecular weight of 266.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]but-2-en-2-amine is sourced from PubChem (CID 143378344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).