1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine

C17H22ClN3O2S — CID 72869354

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine
SMILESCCn1ccnc1C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-20-12-9-19-17(20)15-7-10-21(11-8-15)24(22,23)13-14-3-5-16(18)6-4-14/h3-6,9,12,15H,2,7-8,10-11,13H2,1H3
InChIKeyGPDKYMGDXOKBEE-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.27
Rot. Bonds5

About 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine

1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine (PubChem CID 72869354) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine
PubChem CID72869354
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine
SMILESCCn1ccnc1C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-20-12-9-19-17(20)15-7-10-21(11-8-15)24(22,23)13-14-3-5-16(18)6-4-14/h3-6,9,12,15H,2,7-8,10-11,13H2,1H3
InChIKeyGPDKYMGDXOKBEE-UHFFFAOYSA-N
XLogP3.27
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine (CID 72869354) is 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine is CCn1ccnc1C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
The InChIKey is GPDKYMGDXOKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-2-20-12-9-19-17(20)15-7-10-21(11-8-15)24(22,23)13-14-3-5-16(18)6-4-14/h3-6,9,12,15H,2,7-8,10-11,13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine?
1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine has a molecular weight of 367.90 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine is sourced from PubChem (CID 72869354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).