1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine

C18H27NS — CID 67624546

IUPAC1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine
SMILESC=CC[C@H]1CCCC[C@]1(c1cccs1)N1CCCCC1
InChIInChI=1S/C18H27NS/c1-2-9-16-10-4-5-12-18(16,17-11-8-15-20-17)19-13-6-3-7-14-19/h2,8,11,15-16H,1,3-7,9-10,12-14H2/t16-,18-/m0/s1
InChIKeyLHMDFROFROLBFT-WMZOPIPTSA-N
MW289.49 g/mol
LogP5.20
Rot. Bonds4

About 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine

1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine (PubChem CID 67624546) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine.

Molecular Properties

Compound Name1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine
PubChem CID67624546
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine
SMILESC=CC[C@H]1CCCC[C@]1(c1cccs1)N1CCCCC1
InChIInChI=1S/C18H27NS/c1-2-9-16-10-4-5-12-18(16,17-11-8-15-20-17)19-13-6-3-7-14-19/h2,8,11,15-16H,1,3-7,9-10,12-14H2/t16-,18-/m0/s1
InChIKeyLHMDFROFROLBFT-WMZOPIPTSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine?
The IUPAC name of 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine (CID 67624546) is 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine.
What is the SMILES notation for 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine?
The canonical SMILES for 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine is C=CC[C@H]1CCCC[C@]1(c1cccs1)N1CCCCC1.
What is the InChIKey of 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine?
The InChIKey is LHMDFROFROLBFT-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-9-16-10-4-5-12-18(16,17-11-8-15-20-17)19-13-6-3-7-14-19/h2,8,11,15-16H,1,3-7,9-10,12-14H2/t16-,18-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine?
1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine has a molecular weight of 289.49 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-prop-2-enyl-1-thiophen-2-ylcyclohexyl]piperidine is sourced from PubChem (CID 67624546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).