4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine

C19H38N2O3S — CID 126694239

IUPAC4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(COCCCCCC2CCNCC2)CC1
InChIInChI=1S/C19H38N2O3S/c1-2-16-25(22,23)21-13-9-19(10-14-21)17-24-15-5-3-4-6-18-7-11-20-12-8-18/h18-20H,2-17H2,1H3
InChIKeyXCMIWEOUAVRREY-UHFFFAOYSA-N
MW374.59 g/mol
LogP3.01
Rot. Bonds11

About 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine

4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine (PubChem CID 126694239) has the molecular formula C19H38N2O3S and a molecular weight of 374.59 g/mol. Its IUPAC name is 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine.

Molecular Properties

Compound Name4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine
PubChem CID126694239
Molecular FormulaC19H38N2O3S
Molecular Weight374.59 g/mol
Exact Mass374.26
IUPAC Name4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine
SMILESCCCS(=O)(=O)N1CCC(COCCCCCC2CCNCC2)CC1
InChIInChI=1S/C19H38N2O3S/c1-2-16-25(22,23)21-13-9-19(10-14-21)17-24-15-5-3-4-6-18-7-11-20-12-8-18/h18-20H,2-17H2,1H3
InChIKeyXCMIWEOUAVRREY-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741
4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70094794
5-(2-methylpropyl)-2-[4-[3-[(1-propylsulfonylpiperidin-4-yl)methoxy]propyl]piperidin-1-yl]pyrimidine
CID 126694335
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane
CID 173163203
4-hexadecylpiperidine
CID 54096875
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
4-heptylpiperidine;methane
CID 144690559
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
4-(3,5-difluoro-4-piperidin-4-yloxyphenyl)-1-propylsulfonylpiperidine
CID 123308070
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
CID 62205256

Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine?
The IUPAC name of 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine (CID 126694239) is 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine.
What is the SMILES notation for 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine?
The canonical SMILES for 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine is CCCS(=O)(=O)N1CCC(COCCCCCC2CCNCC2)CC1.
What is the InChIKey of 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine?
The InChIKey is XCMIWEOUAVRREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3S/c1-2-16-25(22,23)21-13-9-19(10-14-21)17-24-15-5-3-4-6-18-7-11-20-12-8-18/h18-20H,2-17H2,1H3.
What are the key properties of 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine?
4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine has a molecular weight of 374.59 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine is sourced from PubChem (CID 126694239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).