N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine

C14H22N2OS — CID 123350321

IUPACN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
SMILESCOc1ccc(CCN2CCC(NS)CC2)cc1
InChIInChI=1S/C14H22N2OS/c1-17-14-4-2-12(3-5-14)6-9-16-10-7-13(15-18)8-11-16/h2-5,13,15,18H,6-11H2,1H3
InChIKeyMUXXYMBFDHPUJX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.14
Rot. Bonds5

About N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine

N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine (PubChem CID 123350321) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
PubChem CID123350321
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
SMILESCOc1ccc(CCN2CCC(NS)CC2)cc1
InChIInChI=1S/C14H22N2OS/c1-17-14-4-2-12(3-5-14)6-9-16-10-7-13(15-18)8-11-16/h2-5,13,15,18H,6-11H2,1H3
InChIKeyMUXXYMBFDHPUJX-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732624
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine
CID 3824332
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
8-[2-(4-methoxyphenyl)ethyl]-8-aza-5-azoniaspiro[4.5]decane bromide
CID 24758718
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine (CID 123350321) is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine is COc1ccc(CCN2CCC(NS)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine?
The InChIKey is MUXXYMBFDHPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-17-14-4-2-12(3-5-14)6-9-16-10-7-13(15-18)8-11-16/h2-5,13,15,18H,6-11H2,1H3.
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine?
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine has a molecular weight of 266.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine is sourced from PubChem (CID 123350321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).