3-[4-(thietan-3-yl)phenyl]piperidine

C14H19NS — CID 115006012

IUPAC3-[4-(thietan-3-yl)phenyl]piperidine
SMILESc1cc(C2CSC2)ccc1C1CCCNC1
InChIInChI=1S/C14H19NS/c1-2-13(8-15-7-1)11-3-5-12(6-4-11)14-9-16-10-14/h3-6,13-15H,1-2,7-10H2
InChIKeyRWOIWYSVBMNOAB-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.98
Rot. Bonds2

About 3-[4-(thietan-3-yl)phenyl]piperidine

3-[4-(thietan-3-yl)phenyl]piperidine (PubChem CID 115006012) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-[4-(thietan-3-yl)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-(thietan-3-yl)phenyl]piperidine
PubChem CID115006012
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name3-[4-(thietan-3-yl)phenyl]piperidine
SMILESc1cc(C2CSC2)ccc1C1CCCNC1
InChIInChI=1S/C14H19NS/c1-2-13(8-15-7-1)11-3-5-12(6-4-11)14-9-16-10-14/h3-6,13-15H,1-2,7-10H2
InChIKeyRWOIWYSVBMNOAB-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)piperidine
CID 24904200
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
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CID 12937920
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
3-[4-(1-methoxyethyl)phenyl]piperidine
CID 117313118
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830
3-(4-ethylsulfanylphenyl)piperidine
CID 82494383

Frequently Asked Questions

What is the IUPAC name of 3-[4-(thietan-3-yl)phenyl]piperidine?
The IUPAC name of 3-[4-(thietan-3-yl)phenyl]piperidine (CID 115006012) is 3-[4-(thietan-3-yl)phenyl]piperidine.
What is the SMILES notation for 3-[4-(thietan-3-yl)phenyl]piperidine?
The canonical SMILES for 3-[4-(thietan-3-yl)phenyl]piperidine is c1cc(C2CSC2)ccc1C1CCCNC1.
What is the InChIKey of 3-[4-(thietan-3-yl)phenyl]piperidine?
The InChIKey is RWOIWYSVBMNOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-13(8-15-7-1)11-3-5-12(6-4-11)14-9-16-10-14/h3-6,13-15H,1-2,7-10H2.
What are the key properties of 3-[4-(thietan-3-yl)phenyl]piperidine?
3-[4-(thietan-3-yl)phenyl]piperidine has a molecular weight of 233.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thietan-3-yl)phenyl]piperidine is sourced from PubChem (CID 115006012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).