2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol

C14H21NO3S — CID 115071222

IUPAC2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
SMILESO=S(=O)(CCc1ccccc1O)CC1CCCCN1
InChIInChI=1S/C14H21NO3S/c16-14-7-2-1-5-12(14)8-10-19(17,18)11-13-6-3-4-9-15-13/h1-2,5,7,13,15-16H,3-4,6,8-11H2
InChIKeyXGWHAIBPNLQJNV-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.49
Rot. Bonds5

About 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol

2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol (PubChem CID 115071222) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
PubChem CID115071222
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
SMILESO=S(=O)(CCc1ccccc1O)CC1CCCCN1
InChIInChI=1S/C14H21NO3S/c16-14-7-2-1-5-12(14)8-10-19(17,18)11-13-6-3-4-9-15-13/h1-2,5,7,13,15-16H,3-4,6,8-11H2
InChIKeyXGWHAIBPNLQJNV-UHFFFAOYSA-N
XLogP1.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
2-[2-(2-fluorophenyl)ethylsulfonylmethyl]azetidine
CID 115071172
2-[2-(2-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071174
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228
2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
CID 115071203
1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
CID 115071276
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol?
The IUPAC name of 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol (CID 115071222) is 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol.
What is the SMILES notation for 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol?
The canonical SMILES for 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol is O=S(=O)(CCc1ccccc1O)CC1CCCCN1.
What is the InChIKey of 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol?
The InChIKey is XGWHAIBPNLQJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c16-14-7-2-1-5-12(14)8-10-19(17,18)11-13-6-3-4-9-15-13/h1-2,5,7,13,15-16H,3-4,6,8-11H2.
What are the key properties of 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol?
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol has a molecular weight of 283.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol is sourced from PubChem (CID 115071222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).