4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid

C10H16F3NO4S — CID 55176612

IUPAC4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c1-2-3-9(8(15)16)4-6-14(7-5-9)19(17,18)10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyYINDUEXNVKVPSN-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.80
Rot. Bonds4

About 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid

4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid (PubChem CID 55176612) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid
PubChem CID55176612
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO4S/c1-2-3-9(8(15)16)4-6-14(7-5-9)19(17,18)10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyYINDUEXNVKVPSN-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-tert-butylsulfonyl-2-(trifluoromethyl)piperidine-4-carboxylic acid
CID 163295587
1-(Difluoromethylsulfonyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165693
1-(Difluoromethylsulfonyl)-3-propylpiperidine-3-carboxylic acid
CID 55166462
1-(Difluoromethylsulfonyl)-4-ethylpiperidine-4-carboxylic acid
CID 55176418
3-[1-(Trifluoromethylsulfonyl)piperidin-4-yl]propanoic acid
CID 62216133
3-[1-(Difluoromethylsulfonyl)piperidin-4-yl]propanoic acid
CID 62217676
2-[1-(Trifluoromethylsulfonyl)piperidin-3-yl]acetic acid
CID 62689060
2-[1-(Difluoromethylsulfonyl)piperidin-3-yl]acetic acid
CID 62690255
4-Methyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid
CID 63123722
1-(Difluoromethylsulfonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124025
4-Ethyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid
CID 63125511
1-(Difluoromethylsulfonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125514

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid (CID 55176612) is 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid?
The InChIKey is YINDUEXNVKVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-2-3-9(8(15)16)4-6-14(7-5-9)19(17,18)10(11,12)13/h2-7H2,1H3,(H,15,16).
What are the key properties of 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid?
4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(trifluoromethylsulfonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55176612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).