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

C14H26ClN2O2- — CID 53347796

IUPAC1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride
SMILESCCCN1CCC(N2CCCC(C(=O)O)C2)CC1.[Cl-]
InChIInChI=1S/C14H26N2O2.ClH/c1-2-7-15-9-5-13(6-10-15)16-8-3-4-12(11-16)14(17)18;/h12-13H,2-11H2,1H3,(H,17,18);1H/p-1
InChIKeyQLMVWMTWARMNJO-UHFFFAOYSA-M
MW289.83 g/mol
LogP-1.34
Rot. Bonds4

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

1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride (PubChem CID 53347796) has the molecular formula C14H26ClN2O2- and a molecular weight of 289.83 g/mol. Its IUPAC name is 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride.

Molecular Properties

Compound Name1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride
PubChem CID53347796
Molecular FormulaC14H26ClN2O2-
Molecular Weight289.83 g/mol
Exact Mass289.17
IUPAC Name1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride
SMILESCCCN1CCC(N2CCCC(C(=O)O)C2)CC1.[Cl-]
InChIInChI=1S/C14H26N2O2.ClH/c1-2-7-15-9-5-13(6-10-15)16-8-3-4-12(11-16)14(17)18;/h12-13H,2-11H2,1H3,(H,17,18);1H/p-1
InChIKeyQLMVWMTWARMNJO-UHFFFAOYSA-M
XLogP-1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
The IUPAC name of 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride (CID 53347796) is 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride.
What is the SMILES notation for 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
The canonical SMILES for 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride is CCCN1CCC(N2CCCC(C(=O)O)C2)CC1.[Cl-].
What is the InChIKey of 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
The InChIKey is QLMVWMTWARMNJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-2-7-15-9-5-13(6-10-15)16-8-3-4-12(11-16)14(17)18;/h12-13H,2-11H2,1H3,(H,17,18);1H/p-1.
What are the key properties of 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride?
1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride has a molecular weight of 289.83 g/mol, XLogP of -1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-4-yl)piperidine-3-carboxylic acid chloride is sourced from PubChem (CID 53347796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).