1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride

C12H22ClN2O2- — CID 53346802

IUPAC1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride
SMILESCN1CCC(N2CCCC(C(=O)O)C2)CC1.[Cl-]
InChIInChI=1S/C12H22N2O2.ClH/c1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16;/h10-11H,2-9H2,1H3,(H,15,16);1H/p-1
InChIKeyPGEDGFZSJWRJRR-UHFFFAOYSA-M
MW261.77 g/mol
LogP-2.12
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride

1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride (PubChem CID 53346802) has the molecular formula C12H22ClN2O2- and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride
PubChem CID53346802
Molecular FormulaC12H22ClN2O2-
Molecular Weight261.77 g/mol
Exact Mass261.14
IUPAC Name1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride
SMILESCN1CCC(N2CCCC(C(=O)O)C2)CC1.[Cl-]
InChIInChI=1S/C12H22N2O2.ClH/c1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16;/h10-11H,2-9H2,1H3,(H,15,16);1H/p-1
InChIKeyPGEDGFZSJWRJRR-UHFFFAOYSA-M
XLogP-2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
The IUPAC name of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride (CID 53346802) is 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride is CN1CCC(N2CCCC(C(=O)O)C2)CC1.[Cl-].
What is the InChIKey of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
The InChIKey is PGEDGFZSJWRJRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16;/h10-11H,2-9H2,1H3,(H,15,16);1H/p-1.
What are the key properties of 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride has a molecular weight of 261.77 g/mol, XLogP of -2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid chloride is sourced from PubChem (CID 53346802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).