3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol

C15H23NS — CID 97169944

IUPAC3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
SMILESSCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H23NS/c17-12-6-10-15-9-4-5-11-16(15)13-14-7-2-1-3-8-14/h1-3,7-8,15,17H,4-6,9-13H2/t15-/m1/s1
InChIKeyUTOFYKGMUUXFQM-OAHLLOKOSA-N
MW249.42 g/mol
LogP3.75
Rot. Bonds5

About 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol

3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol (PubChem CID 97169944) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol.

Molecular Properties

Compound Name3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
PubChem CID97169944
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
SMILESSCCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H23NS/c17-12-6-10-15-9-4-5-11-16(15)13-14-7-2-1-3-8-14/h1-3,7-8,15,17H,4-6,9-13H2/t15-/m1/s1
InChIKeyUTOFYKGMUUXFQM-OAHLLOKOSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol?
The IUPAC name of 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol (CID 97169944) is 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol.
What is the SMILES notation for 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol?
The canonical SMILES for 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol is SCCC[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol?
The InChIKey is UTOFYKGMUUXFQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NS/c17-12-6-10-15-9-4-5-11-16(15)13-14-7-2-1-3-8-14/h1-3,7-8,15,17H,4-6,9-13H2/t15-/m1/s1.
What are the key properties of 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol?
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol has a molecular weight of 249.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol is sourced from PubChem (CID 97169944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).