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'}

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

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

Launch Full Analysis

Related Compounds

[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
CID 15103557
(2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl)methanol
CID 164513072
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 44537953
(3S)-3-methyl-1-[(1S,2R)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10731255
(3R)-3-methyl-1-[(1S,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine
CID 10660186
3-methyl-1-(2-methyl-1-thiophen-2-ylcyclohexyl)piperidine
CID 10707699
2-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylcyclohexan-1-ol
CID 10308365
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole
CID 15233484
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907

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).