2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride

C13H20Cl2N2 — CID 3054966

IUPAC2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2.ClH/c14-12-10-11(6-7-15)4-5-13(12)16-8-2-1-3-9-16;/h4-5,10H,1-3,6-9,15H2;1H
InChIKeyRSAJTNULCBWQJW-UHFFFAOYSA-N
MW275.22 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride

2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride (PubChem CID 3054966) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride
PubChem CID3054966
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride
SMILESCl.NCCc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2.ClH/c14-12-10-11(6-7-15)4-5-13(12)16-8-2-1-3-9-16;/h4-5,10H,1-3,6-9,15H2;1H
InChIKeyRSAJTNULCBWQJW-UHFFFAOYSA-N
XLogP3.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride (CID 3054966) is 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride is Cl.NCCc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride?
The InChIKey is RSAJTNULCBWQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.ClH/c14-12-10-11(6-7-15)4-5-13(12)16-8-2-1-3-9-16;/h4-5,10H,1-3,6-9,15H2;1H.
What are the key properties of 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride?
2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride has a molecular weight of 275.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 3054966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).