4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C15H28N2O4 — CID 67036857

IUPAC4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCN(C)CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)21-13(20)17-10-7-15(8-11-17,12(18)19)6-9-16(4)5/h6-11H2,1-5H3,(H,18,19)
InChIKeyHSKXEGCXNFUMEM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.04
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 67036857) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID67036857
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCN(C)CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-14(2,3)21-13(20)17-10-7-15(8-11-17,12(18)19)6-9-16(4)5/h6-11H2,1-5H3,(H,18,19)
InChIKeyHSKXEGCXNFUMEM-UHFFFAOYSA-N
XLogP2.04
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 67036857) is 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CN(C)CCC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is HSKXEGCXNFUMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)21-13(20)17-10-7-15(8-11-17,12(18)19)6-9-16(4)5/h6-11H2,1-5H3,(H,18,19).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67036857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).