4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine

C20H32FN — CID 142209262

IUPAC4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine
SMILESC=C(F)/C=C(\C=CC)C1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/C20H32FN/c1-4-5-20(14-16(2)21)19-8-6-17(7-9-19)15-18-10-12-22(3)13-11-18/h4-5,14,17-19H,2,6-13,15H2,1,3H3/b5-4?,20-14+
InChIKeyMDUBVYNRVABEPE-WWZLXFOCSA-N
MW305.48 g/mol
LogP5.51
Rot. Bonds5

About 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine

4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine (PubChem CID 142209262) has the molecular formula C20H32FN and a molecular weight of 305.48 g/mol. Its IUPAC name is 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine
PubChem CID142209262
Molecular FormulaC20H32FN
Molecular Weight305.48 g/mol
Exact Mass305.25
IUPAC Name4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine
SMILESC=C(F)/C=C(\C=CC)C1CCC(CC2CCN(C)CC2)CC1
InChIInChI=1S/C20H32FN/c1-4-5-20(14-16(2)21)19-8-6-17(7-9-19)15-18-10-12-22(3)13-11-18/h4-5,14,17-19H,2,6-13,15H2,1,3H3/b5-4?,20-14+
InChIKeyMDUBVYNRVABEPE-WWZLXFOCSA-N
XLogP5.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.48
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine (CID 142209262) is 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine is C=C(F)/C=C(\C=CC)C1CCC(CC2CCN(C)CC2)CC1.
What is the InChIKey of 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine?
The InChIKey is MDUBVYNRVABEPE-WWZLXFOCSA-N. The full InChI is InChI=1S/C20H32FN/c1-4-5-20(14-16(2)21)19-8-6-17(7-9-19)15-18-10-12-22(3)13-11-18/h4-5,14,17-19H,2,6-13,15H2,1,3H3/b5-4?,20-14+.
What are the key properties of 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine?
4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine has a molecular weight of 305.48 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine is sourced from PubChem (CID 142209262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).