2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride

C13H28ClN3 — CID 155970649

IUPAC2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCN1CCC(N2CCC(CCN)CC2)CC1.Cl
InChIInChI=1S/C13H27N3.ClH/c1-15-8-5-13(6-9-15)16-10-3-12(2-7-14)4-11-16;/h12-13H,2-11,14H2,1H3;1H
InChIKeyRZXMWCCJGNFECA-UHFFFAOYSA-N
MW261.84 g/mol
LogP1.56
Rot. Bonds3

About 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride

2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 155970649) has the molecular formula C13H28ClN3 and a molecular weight of 261.84 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
PubChem CID155970649
Molecular FormulaC13H28ClN3
Molecular Weight261.84 g/mol
Exact Mass261.20
IUPAC Name2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride
SMILESCN1CCC(N2CCC(CCN)CC2)CC1.Cl
InChIInChI=1S/C13H27N3.ClH/c1-15-8-5-13(6-9-15)16-10-3-12(2-7-14)4-11-16;/h12-13H,2-11,14H2,1H3;1H
InChIKeyRZXMWCCJGNFECA-UHFFFAOYSA-N
XLogP1.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.84
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride (CID 155970649) is 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride is CN1CCC(N2CCC(CCN)CC2)CC1.Cl.
What is the InChIKey of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is RZXMWCCJGNFECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.ClH/c1-15-8-5-13(6-9-15)16-10-3-12(2-7-14)4-11-16;/h12-13H,2-11,14H2,1H3;1H.
What are the key properties of 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride?
2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 261.84 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 155970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).