1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine

C16H22ClN3S — CID 72902225

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H22ClN3S/c1-12(2)20-10-7-18-16(20)13-5-8-19(9-6-13)11-14-3-4-15(17)21-14/h3-4,7,10,12-13H,5-6,8-9,11H2,1-2H3
InChIKeyIMWCLOJUOJJBEE-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.56
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine

1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine (PubChem CID 72902225) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine
PubChem CID72902225
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine
SMILESCC(C)n1ccnc1C1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C16H22ClN3S/c1-12(2)20-10-7-18-16(20)13-5-8-19(9-6-13)11-14-3-4-15(17)21-14/h3-4,7,10,12-13H,5-6,8-9,11H2,1-2H3
InChIKeyIMWCLOJUOJJBEE-UHFFFAOYSA-N
XLogP4.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine (CID 72902225) is 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine is CC(C)n1ccnc1C1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
The InChIKey is IMWCLOJUOJJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-12(2)20-10-7-18-16(20)13-5-8-19(9-6-13)11-14-3-4-15(17)21-14/h3-4,7,10,12-13H,5-6,8-9,11H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine?
1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine has a molecular weight of 323.89 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-4-(1-propan-2-ylimidazol-2-yl)piperidine is sourced from PubChem (CID 72902225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).