[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

C15H28N2O2 — CID 174707492

IUPAC[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1CCCN1C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)19-11-13-5-4-10-17(13)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyXCMVREWISYCDOQ-ZDUSSCGKSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds3

About [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate

[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 174707492) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID174707492
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1CCCN1C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)14(18)19-11-13-5-4-10-17(13)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyXCMVREWISYCDOQ-ZDUSSCGKSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate 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

[1-(azepan-4-yl)pyrrolidin-2-yl]methanol
CID 84668410
cyclopropylmethyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61150843
piperidin-4-ylmethyl 2,2-dimethylbutanoate
CID 59513098
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512
4-(2-methylpyrrolidin-1-yl)piperidine;dihydrochloride
CID 67478918
3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61278696
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-ylmethyl N,N-dimethylcarbamate;O-methylhydroxylamine
CID 168906581
tert-butyl N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]carbamate
CID 10800963
4-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 121201487
N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 115360278

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate (CID 174707492) is [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@@H]1CCCN1C1CCNCC1.
What is the InChIKey of [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is XCMVREWISYCDOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)14(18)19-11-13-5-4-10-17(13)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate?
[(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-piperidin-4-ylpyrrolidin-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).