1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride

C17H21ClN2OS — CID 119373976

IUPAC1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2OS.ClH/c18-15-7-9-19(10-8-15)17(20)12-21-16-6-5-13-3-1-2-4-14(13)11-16;/h1-6,11,15H,7-10,12,18H2;1H
InChIKeyJWLMNOKMUROEBD-UHFFFAOYSA-N
MW336.89 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride (PubChem CID 119373976) has the molecular formula C17H21ClN2OS and a molecular weight of 336.89 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride
PubChem CID119373976
Molecular FormulaC17H21ClN2OS
Molecular Weight336.89 g/mol
Exact Mass336.11
IUPAC Name1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CSc2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H20N2OS.ClH/c18-15-7-9-19(10-8-15)17(20)12-21-16-6-5-13-3-1-2-4-14(13)11-16;/h1-6,11,15H,7-10,12,18H2;1H
InChIKeyJWLMNOKMUROEBD-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 119622711
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
1-(4-aminopiperidin-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone;hydrochloride
CID 119376188
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 120808790
N,N-dimethyl-4-(2-naphthalen-2-ylsulfanylacetyl)piperazine-1-sulfonamide
CID 33006308
methyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 7795692
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
2-(1H-indol-3-yl)-1-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]ethanone
CID 55810157
2-[4-(2-naphthalen-2-ylsulfanylacetyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 78797905
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride (CID 119373976) is 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride is Cl.NC1CCN(C(=O)CSc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride?
The InChIKey is JWLMNOKMUROEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS.ClH/c18-15-7-9-19(10-8-15)17(20)12-21-16-6-5-13-3-1-2-4-14(13)11-16;/h1-6,11,15H,7-10,12,18H2;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride has a molecular weight of 336.89 g/mol, XLogP of 3.30, 3 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-naphthalen-2-ylsulfanylethanone;hydrochloride is sourced from PubChem (CID 119373976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).