2-piperidin-1-ylethanamine;dihydrochloride

C7H18Cl2N2 — CID 3063450

IUPAC2-piperidin-1-ylethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCCCC1
InChIInChI=1S/C7H16N2.2ClH/c8-4-7-9-5-2-1-3-6-9;;/h1-8H2;2*1H
InChIKeyPPWONLVBRFSCTK-UHFFFAOYSA-N
MW201.14 g/mol
LogP1.27
Rot. Bonds2

About 2-piperidin-1-ylethanamine;dihydrochloride

2-piperidin-1-ylethanamine;dihydrochloride (PubChem CID 3063450) has the molecular formula C7H18Cl2N2 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2-piperidin-1-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylethanamine;dihydrochloride
PubChem CID3063450
Molecular FormulaC7H18Cl2N2
Molecular Weight201.14 g/mol
Exact Mass200.08
IUPAC Name2-piperidin-1-ylethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCCCC1
InChIInChI=1S/C7H16N2.2ClH/c8-4-7-9-5-2-1-3-6-9;;/h1-8H2;2*1H
InChIKeyPPWONLVBRFSCTK-UHFFFAOYSA-N
XLogP1.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-piperidin-1-ylethanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethanamine;dihydrochloride?
The IUPAC name of 2-piperidin-1-ylethanamine;dihydrochloride (CID 3063450) is 2-piperidin-1-ylethanamine;dihydrochloride.
What is the SMILES notation for 2-piperidin-1-ylethanamine;dihydrochloride?
The canonical SMILES for 2-piperidin-1-ylethanamine;dihydrochloride is Cl.Cl.NCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethanamine;dihydrochloride?
The InChIKey is PPWONLVBRFSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2ClH/c8-4-7-9-5-2-1-3-6-9;;/h1-8H2;2*1H.
What are the key properties of 2-piperidin-1-ylethanamine;dihydrochloride?
2-piperidin-1-ylethanamine;dihydrochloride has a molecular weight of 201.14 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethanamine;dihydrochloride is sourced from PubChem (CID 3063450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).