1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde

C14H19NOS — CID 62654968

IUPAC1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCSc1ccccc1
InChIInChI=1S/C14H19NOS/c16-12-13-6-4-5-9-15(13)10-11-17-14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11H2
InChIKeyMQPVMBPBVBZUPL-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde

1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde (PubChem CID 62654968) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
PubChem CID62654968
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CCSc1ccccc1
InChIInChI=1S/C14H19NOS/c16-12-13-6-4-5-9-15(13)10-11-17-14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11H2
InChIKeyMQPVMBPBVBZUPL-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-(2-phenylsulfanylethyl)pyrrolidine
CID 79315744
1-(3-phenoxypropyl)piperidine-2-carbaldehyde
CID 62655361
(2S)-1-(2-phenylethyl)pyrrolidine-2-carbaldehyde
CID 89344949
[(2S)-1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methanesulfonamide
CID 95629781
1-[2-(2-methylphenoxy)ethyl]piperidine-2-carbaldehyde
CID 62654078
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596
N-[[1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 79222597
2-(3-chloropropyl)-1-(2-phenylsulfanylethyl)pyrrolidine
CID 79224416
1-(2-phenylsulfanylethyl)piperidine;hydrochloride
CID 21317512
1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
CID 43441261
2-methyl-1-(2-phenylsulfanylethyl)pyrrolidine-3-carboxylic acid
CID 79370157
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde (CID 62654968) is 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CCSc1ccccc1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde?
The InChIKey is MQPVMBPBVBZUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-12-13-6-4-5-9-15(13)10-11-17-14-7-2-1-3-8-14/h1-3,7-8,12-13H,4-6,9-11H2.
What are the key properties of 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde?
1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde has a molecular weight of 249.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 62654968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).