2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine

C15H21NOS — CID 117413830

IUPAC2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(OC2CSC2)ccc1CC1CCCCN1
InChIInChI=1S/C15H21NOS/c1-2-8-16-13(3-1)9-12-4-6-14(7-5-12)17-15-10-18-11-15/h4-7,13,15-16H,1-3,8-11H2
InChIKeyAWEMGNJXHCSRIO-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.87
Rot. Bonds4

About 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine

2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117413830) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
PubChem CID117413830
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
SMILESc1cc(OC2CSC2)ccc1CC1CCCCN1
InChIInChI=1S/C15H21NOS/c1-2-8-16-13(3-1)9-12-4-6-14(7-5-12)17-15-10-18-11-15/h4-7,13,15-16H,1-3,8-11H2
InChIKeyAWEMGNJXHCSRIO-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117444980
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935
4-[[4-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117471004
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine (CID 117413830) is 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine is c1cc(OC2CSC2)ccc1CC1CCCCN1.
What is the InChIKey of 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is AWEMGNJXHCSRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-2-8-16-13(3-1)9-12-4-6-14(7-5-12)17-15-10-18-11-15/h4-7,13,15-16H,1-3,8-11H2.
What are the key properties of 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine?
2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine has a molecular weight of 263.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117413830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).