3-(3-phenylpropylsulfanyl)piperidine

C14H21NS — CID 84754997

IUPAC3-(3-phenylpropylsulfanyl)piperidine
SMILESc1ccc(CCCSC2CCCNC2)cc1
InChIInChI=1S/C14H21NS/c1-2-6-13(7-3-1)8-5-11-16-14-9-4-10-15-12-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKeyFTQKGQZYAXVPKS-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-phenylpropylsulfanyl)piperidine

3-(3-phenylpropylsulfanyl)piperidine (PubChem CID 84754997) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-(3-phenylpropylsulfanyl)piperidine.

Molecular Properties

Compound Name3-(3-phenylpropylsulfanyl)piperidine
PubChem CID84754997
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-(3-phenylpropylsulfanyl)piperidine
SMILESc1ccc(CCCSC2CCCNC2)cc1
InChIInChI=1S/C14H21NS/c1-2-6-13(7-3-1)8-5-11-16-14-9-4-10-15-12-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKeyFTQKGQZYAXVPKS-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-piperidin-3-ylsulfanylacetamide
CID 84754963
3-[(3-methylphenyl)methylsulfanyl]piperidine
CID 62766415
3-(1-fluoro-4-phenylbutyl)piperidine
CID 112565317
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
4-[2-(azepan-4-ylsulfanyl)ethyl]phenol
CID 115070669
N-phenyl-2-piperidin-3-ylsulfanylacetamide
CID 84754956
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
3-(3-phenylpropyl)piperidine-4-carbaldehyde
CID 174524805
3-[2-(4-methoxyphenoxy)ethylsulfanyl]piperidine
CID 84755004
3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropylsulfanyl)piperidine?
The IUPAC name of 3-(3-phenylpropylsulfanyl)piperidine (CID 84754997) is 3-(3-phenylpropylsulfanyl)piperidine.
What is the SMILES notation for 3-(3-phenylpropylsulfanyl)piperidine?
The canonical SMILES for 3-(3-phenylpropylsulfanyl)piperidine is c1ccc(CCCSC2CCCNC2)cc1.
What is the InChIKey of 3-(3-phenylpropylsulfanyl)piperidine?
The InChIKey is FTQKGQZYAXVPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-6-13(7-3-1)8-5-11-16-14-9-4-10-15-12-14/h1-3,6-7,14-15H,4-5,8-12H2.
What are the key properties of 3-(3-phenylpropylsulfanyl)piperidine?
3-(3-phenylpropylsulfanyl)piperidine has a molecular weight of 235.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropylsulfanyl)piperidine is sourced from PubChem (CID 84754997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).