3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride

C20H30ClNO2S — CID 21482221

IUPAC3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride
SMILESCl.O=C(OCCCN1CCCCC1)C(=C1CCCCC1)c1ccsc1
InChIInChI=1S/C20H29NO2S.ClH/c22-20(23-14-7-13-21-11-5-2-6-12-21)19(18-10-15-24-16-18)17-8-3-1-4-9-17;/h10,15-16H,1-9,11-14H2;1H
InChIKeyFCFZLZNOVBUGRW-UHFFFAOYSA-N
MW383.99 g/mol
LogP5.31
Rot. Bonds6

About 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride

3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride (PubChem CID 21482221) has the molecular formula C20H30ClNO2S and a molecular weight of 383.99 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride
PubChem CID21482221
Molecular FormulaC20H30ClNO2S
Molecular Weight383.99 g/mol
Exact Mass383.17
IUPAC Name3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride
SMILESCl.O=C(OCCCN1CCCCC1)C(=C1CCCCC1)c1ccsc1
InChIInChI=1S/C20H29NO2S.ClH/c22-20(23-14-7-13-21-11-5-2-6-12-21)19(18-10-15-24-16-18)17-8-3-1-4-9-17;/h10,15-16H,1-9,11-14H2;1H
InChIKeyFCFZLZNOVBUGRW-UHFFFAOYSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.99
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride?
The IUPAC name of 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride (CID 21482221) is 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride.
What is the SMILES notation for 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride?
The canonical SMILES for 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride is Cl.O=C(OCCCN1CCCCC1)C(=C1CCCCC1)c1ccsc1.
What is the InChIKey of 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride?
The InChIKey is FCFZLZNOVBUGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2S.ClH/c22-20(23-14-7-13-21-11-5-2-6-12-21)19(18-10-15-24-16-18)17-8-3-1-4-9-17;/h10,15-16H,1-9,11-14H2;1H.
What are the key properties of 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride?
3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride has a molecular weight of 383.99 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl 2-cyclohexylidene-2-thiophen-3-ylacetate;hydrochloride is sourced from PubChem (CID 21482221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).