(3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid

C16H22Cl2N2O2 — CID 67231381

IUPAC(3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)N[C@@H]1CCN(C(=O)O)C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H22Cl2N2O2/c1-16(2,3)19-14-4-5-20(15(21)22)9-13(14)10-6-11(17)8-12(18)7-10/h6-8,13-14,19H,4-5,9H2,1-3H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyGJSVKPBNOIHMHS-UONOGXRCSA-N
MW345.27 g/mol
LogP4.22
Rot. Bonds2

About (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid

(3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid (PubChem CID 67231381) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid
PubChem CID67231381
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name(3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)N[C@@H]1CCN(C(=O)O)C[C@H]1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H22Cl2N2O2/c1-16(2,3)19-14-4-5-20(15(21)22)9-13(14)10-6-11(17)8-12(18)7-10/h6-8,13-14,19H,4-5,9H2,1-3H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyGJSVKPBNOIHMHS-UONOGXRCSA-N
XLogP4.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-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

(3R,4R)-4-[(4-chlorobenzoyl)amino]-3-(3,4-difluorophenyl)piperidine-1-carboxylic acid
CID 68936497
(3R,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(3-chloro-4-methylphenyl)piperidine-1-carboxylic acid
CID 87626763
(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
CID 67020499
(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-fluoro-3-methylphenyl)piperidine-1-carboxylic acid
CID 87626821
3-[[3-(tert-butylcarbamoyl)-5-chloro-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 154499612
4-[(6-chloro-3-pyridinyl)methylamino]-3-methylpiperidine-1-carboxylic acid
CID 90782417
(3S,4R)-3-[[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-methylamino]-4-(4-fluorophenyl)pyrrolidine-1-carboxylic acid
CID 68561684
(3S,4R)-3-(tert-butylamino)-4-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxylic acid
CID 67232774
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropyl]methanone
CID 124865626
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118126

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid (CID 67231381) is (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid is CC(C)(C)N[C@@H]1CCN(C(=O)O)C[C@H]1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid?
The InChIKey is GJSVKPBNOIHMHS-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-16(2,3)19-14-4-5-20(15(21)22)9-13(14)10-6-11(17)8-12(18)7-10/h6-8,13-14,19H,4-5,9H2,1-3H3,(H,21,22)/t13-,14+/m0/s1.
What are the key properties of (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid?
(3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid has a molecular weight of 345.27 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(tert-butylamino)-3-(3,5-dichlorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67231381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).