4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C19H22ClFN2S — CID 90043261

IUPAC4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESFC1CCN(c2cc(-c3ccc(Cl)s3)c3c(n2)CCCCC3)CC1
InChIInChI=1S/C19H22ClFN2S/c20-18-7-6-17(24-18)15-12-19(23-10-8-13(21)9-11-23)22-16-5-3-1-2-4-14(15)16/h6-7,12-13H,1-5,8-11H2
InChIKeyMKZDRLASWVMTNM-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.67
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 90043261) has the molecular formula C19H22ClFN2S and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID90043261
Molecular FormulaC19H22ClFN2S
Molecular Weight364.92 g/mol
Exact Mass364.12
IUPAC Name4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESFC1CCN(c2cc(-c3ccc(Cl)s3)c3c(n2)CCCCC3)CC1
InChIInChI=1S/C19H22ClFN2S/c20-18-7-6-17(24-18)15-12-19(23-10-8-13(21)9-11-23)22-16-5-3-1-2-4-14(15)16/h6-7,12-13H,1-5,8-11H2
InChIKeyMKZDRLASWVMTNM-UHFFFAOYSA-N
XLogP5.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine with MolForge

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Related Compounds

2-(1-Piperidinyl)-6-(2-thienyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726260
1-(6-Butyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
CID 46186936
1-Methyl-4-(6-methyl-4-thiophen-3-yl-2-pyridinyl)piperazine
CID 46203642
1-Methyl-4-(6-propan-2-yl-4-thiophen-3-yl-2-pyridinyl)piperazine
CID 46203645
1-(6-Cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
CID 46203648
1-Methyl-4-(6-thiophen-3-yl-2-pyridinyl)piperazine
CID 172433821
1-[6-(Cyclohexylmethyl)-4-thiophen-3-yl-2-pyridinyl]-4-methylpiperazine
CID 172444815
4-(5-chlorothiophen-2-yl)-2-(3-fluoropiperidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296552
4-(5-chlorothiophen-2-yl)-2-(3,3-difluoropiperidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296553
4-(5-chlorothiophen-2-yl)-2-(4,4-difluoropiperidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296554
4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296555
4-(5-chlorothiophen-2-yl)-3-(2H-tetrazol-5-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73296556

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 90043261) is 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is FC1CCN(c2cc(-c3ccc(Cl)s3)c3c(n2)CCCCC3)CC1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is MKZDRLASWVMTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2S/c20-18-7-6-17(24-18)15-12-19(23-10-8-13(21)9-11-23)22-16-5-3-1-2-4-14(15)16/h6-7,12-13H,1-5,8-11H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 364.92 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-2-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 90043261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).