1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride

C9H21ClN2S — CID 69227304

IUPAC1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride
SMILESCCSCCN1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2S.ClH/c1-2-12-8-7-11-5-3-9(10)4-6-11;/h9H,2-8,10H2,1H3;1H
InChIKeyFHKUWONVSMCZOM-UHFFFAOYSA-N
MW224.80 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride

1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride (PubChem CID 69227304) has the molecular formula C9H21ClN2S and a molecular weight of 224.80 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride
PubChem CID69227304
Molecular FormulaC9H21ClN2S
Molecular Weight224.80 g/mol
Exact Mass224.11
IUPAC Name1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride
SMILESCCSCCN1CCC(N)CC1.Cl
InChIInChI=1S/C9H20N2S.ClH/c1-2-12-8-7-11-5-3-9(10)4-6-11;/h9H,2-8,10H2,1H3;1H
InChIKeyFHKUWONVSMCZOM-UHFFFAOYSA-N
XLogP1.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.80
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride (CID 69227304) is 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride is CCSCCN1CCC(N)CC1.Cl.
What is the InChIKey of 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride?
The InChIKey is FHKUWONVSMCZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S.ClH/c1-2-12-8-7-11-5-3-9(10)4-6-11;/h9H,2-8,10H2,1H3;1H.
What are the key properties of 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride?
1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride has a molecular weight of 224.80 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 69227304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).