1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine

C19H31N3O2S — CID 113079079

IUPAC1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(N3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C19H31N3O2S/c1-3-16-25(23,24)22-14-12-21(13-15-22)19-6-4-18(5-7-19)20-10-8-17(2)9-11-20/h4-7,17H,3,8-16H2,1-2H3
InChIKeyLFGFAWNRANZTJG-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.78
Rot. Bonds5

About 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine

1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine (PubChem CID 113079079) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
PubChem CID113079079
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2ccc(N3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C19H31N3O2S/c1-3-16-25(23,24)22-14-12-21(13-15-22)19-6-4-18(5-7-19)20-10-8-17(2)9-11-20/h4-7,17H,3,8-16H2,1-2H3
InChIKeyLFGFAWNRANZTJG-UHFFFAOYSA-N
XLogP2.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-propylsulfonylpiperazin-1-yl)phenol
CID 2422978
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
1-ethylsulfonyl-4-(4-piperidin-1-ylphenyl)piperazine
CID 113079021
1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
CID 113076966
1-(3-bromophenyl)-4-propylsulfonylpiperazine
CID 113079446
4-(4-butylsulfonylpiperazin-1-yl)benzonitrile
CID 113081083
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 113078258
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine (CID 113079079) is 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2ccc(N3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine?
The InChIKey is LFGFAWNRANZTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-3-16-25(23,24)22-14-12-21(13-15-22)19-6-4-18(5-7-19)20-10-8-17(2)9-11-20/h4-7,17H,3,8-16H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine?
1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine has a molecular weight of 365.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)phenyl]-4-propylsulfonylpiperazine is sourced from PubChem (CID 113079079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).