1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine

C13H19NOS — CID 57495495

IUPAC1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
SMILESOSc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C13H19NOS/c15-16-13-6-4-12(5-7-13)8-11-14-9-2-1-3-10-14/h4-7,15H,1-3,8-11H2
InChIKeyMEVFCZSSWSDQCH-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.28
Rot. Bonds4

About 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine

1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine (PubChem CID 57495495) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
PubChem CID57495495
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine
SMILESOSc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C13H19NOS/c15-16-13-6-4-12(5-7-13)8-11-14-9-2-1-3-10-14/h4-7,15H,1-3,8-11H2
InChIKeyMEVFCZSSWSDQCH-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-ol
CID 117403000
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]piperidin-4-ol
CID 71034592
N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034556
1-[4-(2-piperidin-1-ylethyl)phenyl]cyclobutan-1-amine
CID 117400009
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-[4-(2-piperidin-1-ylethyl)phenyl]formamide
CID 168653068
6-(2-piperidin-1-ylethyl)naphthalene-2,3-diol;hydrochloride
CID 20541877

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine?
The IUPAC name of 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine (CID 57495495) is 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine is OSc1ccc(CCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine?
The InChIKey is MEVFCZSSWSDQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-16-13-6-4-12(5-7-13)8-11-14-9-2-1-3-10-14/h4-7,15H,1-3,8-11H2.
What are the key properties of 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine?
1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine has a molecular weight of 237.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxysulfanylphenyl)ethyl]piperidine is sourced from PubChem (CID 57495495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).