(E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine

C17H34N4 — CID 142367835

IUPAC(E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine
SMILESCC/C=C(\CN1CCC(CN2CCN(C)CC2)CC1)NC
InChIInChI=1S/C17H34N4/c1-4-5-17(18-2)15-20-8-6-16(7-9-20)14-21-12-10-19(3)11-13-21/h5,16,18H,4,6-15H2,1-3H3/b17-5+
InChIKeyLLLFWHMEPGXEMY-YAXRCOADSA-N
MW294.49 g/mol
LogP1.46
Rot. Bonds6

About (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine

(E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine (PubChem CID 142367835) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine
PubChem CID142367835
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name(E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine
SMILESCC/C=C(\CN1CCC(CN2CCN(C)CC2)CC1)NC
InChIInChI=1S/C17H34N4/c1-4-5-17(18-2)15-20-8-6-16(7-9-20)14-21-12-10-19(3)11-13-21/h5,16,18H,4,6-15H2,1-3H3/b17-5+
InChIKeyLLLFWHMEPGXEMY-YAXRCOADSA-N
XLogP1.46
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine?
The IUPAC name of (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine (CID 142367835) is (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine.
What is the SMILES notation for (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine?
The canonical SMILES for (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine is CC/C=C(\CN1CCC(CN2CCN(C)CC2)CC1)NC.
What is the InChIKey of (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine?
The InChIKey is LLLFWHMEPGXEMY-YAXRCOADSA-N. The full InChI is InChI=1S/C17H34N4/c1-4-5-17(18-2)15-20-8-6-16(7-9-20)14-21-12-10-19(3)11-13-21/h5,16,18H,4,6-15H2,1-3H3/b17-5+.
What are the key properties of (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine?
(E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine has a molecular weight of 294.49 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pent-2-en-2-amine is sourced from PubChem (CID 142367835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).