(Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine

C14H23FN4 — CID 139358448

IUPAC(Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(C(=C)/C(F)=C\C)C1C
InChIInChI=1S/C14H23FN4/c1-5-13(15)10(3)19-8-9(2)18-14(11(19)4)12(6-16)7-17/h5-7,9,11,14,16,18H,3,8,17H2,1-2,4H3/b12-7+,13-5+,16-6+
InChIKeyMDOKOCZFYKESFI-KPFJMEEESA-N
MW266.36 g/mol
LogP1.92
Rot. Bonds4

About (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 139358448) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID139358448
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name(Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(C(=C)/C(F)=C\C)C1C
InChIInChI=1S/C14H23FN4/c1-5-13(15)10(3)19-8-9(2)18-14(11(19)4)12(6-16)7-17/h5-7,9,11,14,16,18H,3,8,17H2,1-2,4H3/b12-7+,13-5+,16-6+
InChIKeyMDOKOCZFYKESFI-KPFJMEEESA-N
XLogP1.92
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine (CID 139358448) is (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)CN(C(=C)/C(F)=C\C)C1C.
What is the InChIKey of (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is MDOKOCZFYKESFI-KPFJMEEESA-N. The full InChI is InChI=1S/C14H23FN4/c1-5-13(15)10(3)19-8-9(2)18-14(11(19)4)12(6-16)7-17/h5-7,9,11,14,16,18H,3,8,17H2,1-2,4H3/b12-7+,13-5+,16-6+.
What are the key properties of (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 266.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139358448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).