4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine

C19H27N — CID 130443968

IUPAC4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine
SMILESC=CC(/C=C\C)=C1\C=CC(CCC2CCNCC2)=CC1
InChIInChI=1S/C19H27N/c1-3-5-18(4-2)19-10-8-16(9-11-19)6-7-17-12-14-20-15-13-17/h3-5,8-10,17,20H,2,6-7,11-15H2,1H3/b5-3-,19-18-
InChIKeyDJYHDKSNARUPRS-AOCFOVADSA-N
MW269.43 g/mol
LogP4.71
Rot. Bonds5

About 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine

4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine (PubChem CID 130443968) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine
PubChem CID130443968
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine
SMILESC=CC(/C=C\C)=C1\C=CC(CCC2CCNCC2)=CC1
InChIInChI=1S/C19H27N/c1-3-5-18(4-2)19-10-8-16(9-11-19)6-7-17-12-14-20-15-13-17/h3-5,8-10,17,20H,2,6-7,11-15H2,1H3/b5-3-,19-18-
InChIKeyDJYHDKSNARUPRS-AOCFOVADSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine 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-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
The IUPAC name of 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine (CID 130443968) is 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine.
What is the SMILES notation for 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
The canonical SMILES for 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine is C=CC(/C=C\C)=C1\C=CC(CCC2CCNCC2)=CC1.
What is the InChIKey of 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
The InChIKey is DJYHDKSNARUPRS-AOCFOVADSA-N. The full InChI is InChI=1S/C19H27N/c1-3-5-18(4-2)19-10-8-16(9-11-19)6-7-17-12-14-20-15-13-17/h3-5,8-10,17,20H,2,6-7,11-15H2,1H3/b5-3-,19-18-.
What are the key properties of 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine?
4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine has a molecular weight of 269.43 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4E)-4-[(4Z)-hexa-1,4-dien-3-ylidene]cyclohexa-1,5-dien-1-yl]ethyl]piperidine is sourced from PubChem (CID 130443968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).