1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]

C18H25NOS — CID 25167089

IUPAC1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]
SMILESC1=Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
InChIInChI=1S/C18H25NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h6-7,12-13,15H,1-5,8-11,14H2
InChIKeyFFAQRPBBIZKKKZ-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.62
Rot. Bonds2

About 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]

1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran] (PubChem CID 25167089) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran].

Molecular Properties

Compound Name1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]
PubChem CID25167089
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]
SMILESC1=Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1
InChIInChI=1S/C18H25NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h6-7,12-13,15H,1-5,8-11,14H2
InChIKeyFFAQRPBBIZKKKZ-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(Cyclohexylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-carbonitrile
CID 25110833
1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1-(Cyclohexylmethyl)-6'',7''-dihydrospiro[piperidine-4,4''-thieno[3,2-c]pyran]
CID 25167287
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
1-Benzylspiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 25166886
1-Benzylspiro[piperidine-4,7'-thieno[2,3-c]pyran]
CID 70677089
1-Methyl-5a',6',7',8',9',9a'-hexahydrospiro[piperidine-4,4'-thieno[3,2-c]chromene] hydrochloride
CID 17233906
14-methylspiro[6,7,8,9,5a,9a-hexahydro-4H-thiopheno[3,2-c]chromene-4,4'-piperi dine]
CID 17233907
1'-Cyclohexylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 129900519
1'-Methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 12225899
1-[3-(4-Phenyl-1-thiophen-2-ylbutoxy)propyl]piperidine
CID 54172933
1'-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57855401

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]?
The IUPAC name of 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran] (CID 25167089) is 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran].
What is the SMILES notation for 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]?
The canonical SMILES for 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran] is C1=Cc2sccc2C2(CCN(CC3CCCCC3)CC2)O1.
What is the InChIKey of 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]?
The InChIKey is FFAQRPBBIZKKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h6-7,12-13,15H,1-5,8-11,14H2.
What are the key properties of 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran]?
1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran] has a molecular weight of 303.47 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)spiro[piperidine-4,4'-thieno[3,2-c]pyran] is sourced from PubChem (CID 25167089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).