piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone

C14H26N2O — CID 114593112

IUPACpiperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)C2CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-10-8-11(2)12(3)16(9-10)14(17)13-4-6-15-7-5-13/h10-13,15H,4-9H2,1-3H3
InChIKeyWZHXSLGZJDKYIM-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.88
Rot. Bonds1

About piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone

piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114593112) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namepiperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114593112
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namepiperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)C2CCNCC2)C1
InChIInChI=1S/C14H26N2O/c1-10-8-11(2)12(3)16(9-10)14(17)13-4-6-15-7-5-13/h10-13,15H,4-9H2,1-3H3
InChIKeyWZHXSLGZJDKYIM-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114628152
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
4-methyl-2-(2,3,5-trimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114592344
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
CID 129375092
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477
(2,4-dimethylpiperazin-1-yl)-piperidin-4-ylmethanone;dihydrochloride
CID 119885488
[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129499446
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
ethyl 2,3,5-trimethylpiperidine-1-carboxylate
CID 114597475
1-(2,3,5-trimethylpiperidin-1-yl)butane-1,3-dione
CID 114593177

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114593112) is piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)C2CCNCC2)C1.
What is the InChIKey of piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is WZHXSLGZJDKYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-8-11(2)12(3)16(9-10)14(17)13-4-6-15-7-5-13/h10-13,15H,4-9H2,1-3H3.
What are the key properties of piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114593112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).