2-piperidin-4-ylethanamine;trihydrochloride

C7H19Cl3N2 — CID 140995710

IUPAC2-piperidin-4-ylethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCCC1CCNCC1
InChIInChI=1S/C7H16N2.3ClH/c8-4-1-7-2-5-9-6-3-7;;;/h7,9H,1-6,8H2;3*1H
InChIKeyZSZMLYLXFQPGFV-UHFFFAOYSA-N
MW237.60 g/mol
LogP1.60
Rot. Bonds2

About 2-piperidin-4-ylethanamine;trihydrochloride

2-piperidin-4-ylethanamine;trihydrochloride (PubChem CID 140995710) has the molecular formula C7H19Cl3N2 and a molecular weight of 237.60 g/mol. Its IUPAC name is 2-piperidin-4-ylethanamine;trihydrochloride.

Molecular Properties

Compound Name2-piperidin-4-ylethanamine;trihydrochloride
PubChem CID140995710
Molecular FormulaC7H19Cl3N2
Molecular Weight237.60 g/mol
Exact Mass236.06
IUPAC Name2-piperidin-4-ylethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCCC1CCNCC1
InChIInChI=1S/C7H16N2.3ClH/c8-4-1-7-2-5-9-6-3-7;;;/h7,9H,1-6,8H2;3*1H
InChIKeyZSZMLYLXFQPGFV-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.60
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
CID 59505517
2-(2-piperidin-4-ylethylsulfanyl)ethanamine
CID 105061316
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine
CID 162737186
1-amino-4-piperidin-4-ylbutan-2-one
CID 56994536
2-cycloheptatriacontylethanamine
CID 70967764
ethane;4-propylpiperidine
CID 142071399
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
iron(5+);piperidin-4-ylmethanamine;pentacyanide
CID 88790374
4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347
4-(3-fluoro-3-methylbutyl)piperidine
CID 83816497
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylethanamine;trihydrochloride?
The IUPAC name of 2-piperidin-4-ylethanamine;trihydrochloride (CID 140995710) is 2-piperidin-4-ylethanamine;trihydrochloride.
What is the SMILES notation for 2-piperidin-4-ylethanamine;trihydrochloride?
The canonical SMILES for 2-piperidin-4-ylethanamine;trihydrochloride is Cl.Cl.Cl.NCCC1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylethanamine;trihydrochloride?
The InChIKey is ZSZMLYLXFQPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.3ClH/c8-4-1-7-2-5-9-6-3-7;;;/h7,9H,1-6,8H2;3*1H.
What are the key properties of 2-piperidin-4-ylethanamine;trihydrochloride?
2-piperidin-4-ylethanamine;trihydrochloride has a molecular weight of 237.60 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylethanamine;trihydrochloride is sourced from PubChem (CID 140995710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).