4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine

C18H30FNO — CID 134376383

IUPAC4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine
SMILESCCOC(C)C1=CC=C(C2CCN(CCCF)CC2)CC1
InChIInChI=1S/C18H30FNO/c1-3-21-15(2)16-5-7-17(8-6-16)18-9-13-20(14-10-18)12-4-11-19/h5,7,15,18H,3-4,6,8-14H2,1-2H3
InChIKeyBICUOXFOWQNNIC-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.13
Rot. Bonds7

About 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine

4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine (PubChem CID 134376383) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine.

Molecular Properties

Compound Name4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine
PubChem CID134376383
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine
SMILESCCOC(C)C1=CC=C(C2CCN(CCCF)CC2)CC1
InChIInChI=1S/C18H30FNO/c1-3-21-15(2)16-5-7-17(8-6-16)18-9-13-20(14-10-18)12-4-11-19/h5,7,15,18H,3-4,6,8-14H2,1-2H3
InChIKeyBICUOXFOWQNNIC-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)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-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine?
The IUPAC name of 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine (CID 134376383) is 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine.
What is the SMILES notation for 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine?
The canonical SMILES for 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine is CCOC(C)C1=CC=C(C2CCN(CCCF)CC2)CC1.
What is the InChIKey of 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine?
The InChIKey is BICUOXFOWQNNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-3-21-15(2)16-5-7-17(8-6-16)18-9-13-20(14-10-18)12-4-11-19/h5,7,15,18H,3-4,6,8-14H2,1-2H3.
What are the key properties of 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine?
4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine has a molecular weight of 295.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-ethoxyethyl)cyclohexa-1,3-dien-1-yl]-1-(3-fluoropropyl)piperidine is sourced from PubChem (CID 134376383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).