1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane

C22H43N3 — CID 142939372

IUPAC1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane
SMILESC/C=C\CN1CCC(N2CCN(C)CC2)CC1.CC#CCC.CCC
InChIInChI=1S/C14H27N3.C5H8.C3H8/c1-3-4-7-16-8-5-14(6-9-16)17-12-10-15(2)11-13-17;1-3-5-4-2;1-3-2/h3-4,14H,5-13H2,1-2H3;3H2,1-2H3;3H2,1-2H3/b4-3-;;
InChIKeyVUSZYRKSYXSDNR-GSBNXNDCSA-N
MW349.61 g/mol
LogP4.11
Rot. Bonds3

About 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane

1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane (PubChem CID 142939372) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane.

Molecular Properties

Compound Name1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane
PubChem CID142939372
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC Name1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane
SMILESC/C=C\CN1CCC(N2CCN(C)CC2)CC1.CC#CCC.CCC
InChIInChI=1S/C14H27N3.C5H8.C3H8/c1-3-4-7-16-8-5-14(6-9-16)17-12-10-15(2)11-13-17;1-3-5-4-2;1-3-2/h3-4,14H,5-13H2,1-2H3;3H2,1-2H3;3H2,1-2H3/b4-3-;;
InChIKeyVUSZYRKSYXSDNR-GSBNXNDCSA-N
XLogP4.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane?
The IUPAC name of 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane (CID 142939372) is 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane.
What is the SMILES notation for 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane?
The canonical SMILES for 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane is C/C=C\CN1CCC(N2CCN(C)CC2)CC1.CC#CCC.CCC.
What is the InChIKey of 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane?
The InChIKey is VUSZYRKSYXSDNR-GSBNXNDCSA-N. The full InChI is InChI=1S/C14H27N3.C5H8.C3H8/c1-3-4-7-16-8-5-14(6-9-16)17-12-10-15(2)11-13-17;1-3-5-4-2;1-3-2/h3-4,14H,5-13H2,1-2H3;3H2,1-2H3;3H2,1-2H3/b4-3-;;.
What are the key properties of 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane?
1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane has a molecular weight of 349.61 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(Z)-but-2-enyl]piperidin-4-yl]-4-methylpiperazine;pent-2-yne;propane is sourced from PubChem (CID 142939372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).