1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride

C10H21ClN2OS — CID 119374422

IUPAC1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
SMILESCCCSCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-2-7-14-8-10(13)12-5-3-9(11)4-6-12;/h9H,2-8,11H2,1H3;1H
InChIKeyDDNXJNWMTCRFGL-UHFFFAOYSA-N
MW252.81 g/mol
LogP1.50
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride (PubChem CID 119374422) has the molecular formula C10H21ClN2OS and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
PubChem CID119374422
Molecular FormulaC10H21ClN2OS
Molecular Weight252.81 g/mol
Exact Mass252.11
IUPAC Name1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
SMILESCCCSCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C10H20N2OS.ClH/c1-2-7-14-8-10(13)12-5-3-9(11)4-6-12;/h9H,2-8,11H2,1H3;1H
InChIKeyDDNXJNWMTCRFGL-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 51.50
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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Related Compounds

2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 87011135
1-[4-(aminomethyl)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone;dihydrochloride
CID 119423246
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(2-butylsulfanylacetyl)piperidine-4-carboxylic acid
CID 43092584
1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one;hydrochloride
CID 119374555
1-(3-methoxy-4-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 154754039
1-(3-ethoxypiperidin-1-yl)-2-propylsulfanylethanone
CID 47737118
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119375866
1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 119373587
1-[(3R)-3-aminopyrrolidin-1-yl]-3-butylsulfanylpropan-1-one
CID 119413529

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride (CID 119374422) is 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride is CCCSCC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride?
The InChIKey is DDNXJNWMTCRFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS.ClH/c1-2-7-14-8-10(13)12-5-3-9(11)4-6-12;/h9H,2-8,11H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride has a molecular weight of 252.81 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride is sourced from PubChem (CID 119374422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).