methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate

C14H28N2O2 — CID 79623548

IUPACmethyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate
SMILESCOC(=O)C(C)(C)CNCC(C)N1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(16-8-6-5-7-9-16)10-15-11-14(2,3)13(17)18-4/h12,15H,5-11H2,1-4H3
InChIKeyVXAMSWQQPXMNHS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate

methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate (PubChem CID 79623548) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate
PubChem CID79623548
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate
SMILESCOC(=O)C(C)(C)CNCC(C)N1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(16-8-6-5-7-9-16)10-15-11-14(2,3)13(17)18-4/h12,15H,5-11H2,1-4H3
InChIKeyVXAMSWQQPXMNHS-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2-dimethyl-3-(2,3,3-trimethylbutylamino)propanoate
CID 83143662
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79624700
2-methyl-4-(2-piperidin-1-ylpropylamino)butan-2-ol
CID 79361764
tert-butyl 3-(2-pyrrolidin-1-ylpropylamino)propanoate
CID 103259516
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
N-(3-methoxypropyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 62556427
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
2-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 114328963
1-(2-piperidin-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225924
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate (CID 79623548) is methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate is COC(=O)C(C)(C)CNCC(C)N1CCCCC1.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate?
The InChIKey is VXAMSWQQPXMNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(16-8-6-5-7-9-16)10-15-11-14(2,3)13(17)18-4/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate?
methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate is sourced from PubChem (CID 79623548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).