(3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine

C20H35FN4 — CID 143419617

IUPAC(3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C\C(=C)N(C)CCCN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C20H35FN4/c1-18(21)6-7-19(2)23(4)10-5-11-24-12-8-20(9-13-24)25-16-14-22(3)15-17-25/h6-7,20H,1-2,5,8-17H2,3-4H3/b7-6-
InChIKeyMDESCZTVLACQOA-SREVYHEPSA-N
MW350.53 g/mol
LogP2.57
Rot. Bonds8

About (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine

(3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine (PubChem CID 143419617) has the molecular formula C20H35FN4 and a molecular weight of 350.53 g/mol. Its IUPAC name is (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine
PubChem CID143419617
Molecular FormulaC20H35FN4
Molecular Weight350.53 g/mol
Exact Mass350.28
IUPAC Name(3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C\C(=C)N(C)CCCN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C20H35FN4/c1-18(21)6-7-19(2)23(4)10-5-11-24-12-8-20(9-13-24)25-16-14-22(3)15-17-25/h6-7,20H,1-2,5,8-17H2,3-4H3/b7-6-
InChIKeyMDESCZTVLACQOA-SREVYHEPSA-N
XLogP2.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine (CID 143419617) is (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine is C=C(F)/C=C\C(=C)N(C)CCCN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine?
The InChIKey is MDESCZTVLACQOA-SREVYHEPSA-N. The full InChI is InChI=1S/C20H35FN4/c1-18(21)6-7-19(2)23(4)10-5-11-24-12-8-20(9-13-24)25-16-14-22(3)15-17-25/h6-7,20H,1-2,5,8-17H2,3-4H3/b7-6-.
What are the key properties of (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine?
(3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine has a molecular weight of 350.53 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-N-methyl-N-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143419617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).