4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine

C16H32N2O2S — CID 70094794

IUPAC4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
SMILESCC1(C)CCN(S(=O)(=O)CCCCC2CCNCC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-16(2)8-12-18(13-9-16)21(19,20)14-4-3-5-15-6-10-17-11-7-15/h15,17H,3-14H2,1-2H3
InChIKeyYMKJVFPNQYMIDH-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.61
Rot. Bonds6

About 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine

4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine (PubChem CID 70094794) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
PubChem CID70094794
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
SMILESCC1(C)CCN(S(=O)(=O)CCCCC2CCNCC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-16(2)8-12-18(13-9-16)21(19,20)14-4-3-5-15-6-10-17-11-7-15/h15,17H,3-14H2,1-2H3
InChIKeyYMKJVFPNQYMIDH-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(4-piperidin-4-ylbutylsulfonyl)-8-azaspiro[4.5]decane
CID 173163203
4-methoxy-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70097741
3-(4,4-dimethylpiperidin-1-yl)sulfonylpropan-1-amine
CID 62936725
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
4-(5-piperidin-4-ylpentoxymethyl)-1-propylsulfonylpiperidine
CID 126694239
4,4-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 62937944
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
1-butylsulfonylpiperazine
CID 16769079
[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
CID 114777054
1-(3-methoxypropylsulfonyl)piperazine;hydrochloride
CID 71756651
4-(4-propylpiperidin-1-yl)sulfonylbutan-1-amine
CID 62205256
4-(2-cyclopropylsulfonylethyl)piperidine
CID 84683146

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
The IUPAC name of 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine (CID 70094794) is 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine.
What is the SMILES notation for 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
The canonical SMILES for 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine is CC1(C)CCN(S(=O)(=O)CCCCC2CCNCC2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
The InChIKey is YMKJVFPNQYMIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-16(2)8-12-18(13-9-16)21(19,20)14-4-3-5-15-6-10-17-11-7-15/h15,17H,3-14H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine?
4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine has a molecular weight of 316.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine is sourced from PubChem (CID 70094794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).