1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

C14H18ClN3OS — CID 11392794

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESClc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C14H18ClN3OS/c15-14-2-1-13(20-14)8-18-5-3-12(4-6-18)19-9-11-7-16-10-17-11/h1-2,7,10,12H,3-6,8-9H2,(H,16,17)
InChIKeySZBBMTSGCOJHEQ-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.31
Rot. Bonds5

About 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11392794) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11392794
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESClc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1
InChIInChI=1S/C14H18ClN3OS/c15-14-2-1-13(20-14)8-18-5-3-12(4-6-18)19-9-11-7-16-10-17-11/h1-2,7,10,12H,3-6,8-9H2,(H,16,17)
InChIKeySZBBMTSGCOJHEQ-UHFFFAOYSA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11392794) is 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is Clc1ccc(CN2CCC(OCc3cnc[nH]3)CC2)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is SZBBMTSGCOJHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c15-14-2-1-13(20-14)8-18-5-3-12(4-6-18)19-9-11-7-16-10-17-11/h1-2,7,10,12H,3-6,8-9H2,(H,16,17).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 311.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11392794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).