piperidin-3-ylmethanamine;trihydrochloride

C6H17Cl3N2 — CID 69122569

IUPACpiperidin-3-ylmethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CCCNC1
InChIInChI=1S/C6H14N2.3ClH/c7-4-6-2-1-3-8-5-6;;;/h6,8H,1-5,7H2;3*1H
InChIKeyYKHMXKZPABVVSB-UHFFFAOYSA-N
MW223.57 g/mol
LogP1.21
Rot. Bonds1

About piperidin-3-ylmethanamine;trihydrochloride

piperidin-3-ylmethanamine;trihydrochloride (PubChem CID 69122569) has the molecular formula C6H17Cl3N2 and a molecular weight of 223.57 g/mol. Its IUPAC name is piperidin-3-ylmethanamine;trihydrochloride.

Molecular Properties

Compound Namepiperidin-3-ylmethanamine;trihydrochloride
PubChem CID69122569
Molecular FormulaC6H17Cl3N2
Molecular Weight223.57 g/mol
Exact Mass222.05
IUPAC Namepiperidin-3-ylmethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CCCNC1
InChIInChI=1S/C6H14N2.3ClH/c7-4-6-2-1-3-8-5-6;;;/h6,8H,1-5,7H2;3*1H
InChIKeyYKHMXKZPABVVSB-UHFFFAOYSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;pyrrolidin-3-ylmethanamine
CID 142426131
piperidin-3-ylmethanol
CID 161361606
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
4-piperidin-3-ylbut-2-yn-1-amine
CID 117265146
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
(3S)-3-(2-iodoethyl)piperidine
CID 97168699
3-(2,2-dimethylpropyl)piperidine
CID 21041533
(1-methyl-5-piperidin-3-ylpyrrolidin-3-yl)methanamine
CID 83854378
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
3-[(dihydroxyamino)oxymethyl]piperidine
CID 67976448
[2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanamine
CID 115094596

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethanamine;trihydrochloride?
The IUPAC name of piperidin-3-ylmethanamine;trihydrochloride (CID 69122569) is piperidin-3-ylmethanamine;trihydrochloride.
What is the SMILES notation for piperidin-3-ylmethanamine;trihydrochloride?
The canonical SMILES for piperidin-3-ylmethanamine;trihydrochloride is Cl.Cl.Cl.NCC1CCCNC1.
What is the InChIKey of piperidin-3-ylmethanamine;trihydrochloride?
The InChIKey is YKHMXKZPABVVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.3ClH/c7-4-6-2-1-3-8-5-6;;;/h6,8H,1-5,7H2;3*1H.
What are the key properties of piperidin-3-ylmethanamine;trihydrochloride?
piperidin-3-ylmethanamine;trihydrochloride has a molecular weight of 223.57 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-ylmethanamine;trihydrochloride is sourced from PubChem (CID 69122569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).