4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol

C16H25NO3S — CID 106820916

IUPAC4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol
SMILESCCS(=O)(=O)CCCC1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25NO3S/c1-2-21(19,20)14-6-9-16(18)10-12-17(13-11-16)15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3
InChIKeyNIKLIGBDFUGYPV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.23
Rot. Bonds6

About 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol

4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol (PubChem CID 106820916) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol
PubChem CID106820916
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol
SMILESCCS(=O)(=O)CCCC1(O)CCN(c2ccccc2)CC1
InChIInChI=1S/C16H25NO3S/c1-2-21(19,20)14-6-9-16(18)10-12-17(13-11-16)15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3
InChIKeyNIKLIGBDFUGYPV-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpentyl)-1-phenylpiperidin-4-ol
CID 106820935
4-benzyl-1-phenylpiperidin-4-ol
CID 106820760
3-(3-ethylsulfonylpropyl)-1-methylpyrrolidin-3-ol
CID 65146779
2-chloro-N-[2-(4-hydroxy-1-phenylpiperidin-4-yl)ethyl]acetamide;hydrochloride
CID 146108301
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
1-(benzenesulfonyl)-4-[(4-phenylpiperazin-1-yl)methyl]piperidin-4-ol
CID 3817664
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol
CID 106820857
4-pentan-2-yl-1-phenylpiperidin-4-ol
CID 114013455
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
8-hydroxy-2-phenyl-8-propyl-2-azaspiro[4.5]decan-1-one
CID 123999552
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
3-[1-[4-(aminomethyl)phenyl]-4-hydroxypiperidin-4-yl]propanoic acid
CID 175476858

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol?
The IUPAC name of 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol (CID 106820916) is 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol.
What is the SMILES notation for 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol?
The canonical SMILES for 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol is CCS(=O)(=O)CCCC1(O)CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol?
The InChIKey is NIKLIGBDFUGYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-2-21(19,20)14-6-9-16(18)10-12-17(13-11-16)15-7-4-3-5-8-15/h3-5,7-8,18H,2,6,9-14H2,1H3.
What are the key properties of 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol?
4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol has a molecular weight of 311.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylsulfonylpropyl)-1-phenylpiperidin-4-ol is sourced from PubChem (CID 106820916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).