4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone

C20H31ClN2OS — CID 143044397

IUPAC4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone
SMILESCN1CCC(c2ccc(Cl)cc2)CC1.CSCC(=O)N1CCCCC1
InChIInChI=1S/C12H16ClN.C8H15NOS/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-11-7-8(10)9-5-3-2-4-6-9/h2-5,11H,6-9H2,1H3;2-7H2,1H3
InChIKeyBZDBZIWJWPHJTD-UHFFFAOYSA-N
MW383.00 g/mol
LogP4.51
Rot. Bonds3

About 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone

4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone (PubChem CID 143044397) has the molecular formula C20H31ClN2OS and a molecular weight of 383.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone
PubChem CID143044397
Molecular FormulaC20H31ClN2OS
Molecular Weight383.00 g/mol
Exact Mass382.18
IUPAC Name4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone
SMILESCN1CCC(c2ccc(Cl)cc2)CC1.CSCC(=O)N1CCCCC1
InChIInChI=1S/C12H16ClN.C8H15NOS/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-11-7-8(10)9-5-3-2-4-6-9/h2-5,11H,6-9H2,1H3;2-7H2,1H3
InChIKeyBZDBZIWJWPHJTD-UHFFFAOYSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.00
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone (CID 143044397) is 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone is CN1CCC(c2ccc(Cl)cc2)CC1.CSCC(=O)N1CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone?
The InChIKey is BZDBZIWJWPHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN.C8H15NOS/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-11-7-8(10)9-5-3-2-4-6-9/h2-5,11H,6-9H2,1H3;2-7H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone?
4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone has a molecular weight of 383.00 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methylpiperidine;2-methylsulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 143044397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).