3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol

C19H25NOS — CID 10381008

IUPAC3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol
SMILESC[C@H]1CN(CCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C19H25NOS/c1-15-14-20(10-8-18-7-4-12-22-18)11-9-19(15,2)16-5-3-6-17(21)13-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t15-,19+/m0/s1
InChIKeyDGEXSDIRTDWGOA-HNAYVOBHSA-N
MW315.48 g/mol
LogP4.30
Rot. Bonds4

About 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol

3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol (PubChem CID 10381008) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol
PubChem CID10381008
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol
SMILESC[C@H]1CN(CCc2cccs2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C19H25NOS/c1-15-14-20(10-8-18-7-4-12-22-18)11-9-19(15,2)16-5-3-6-17(21)13-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t15-,19+/m0/s1
InChIKeyDGEXSDIRTDWGOA-HNAYVOBHSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol (CID 10381008) is 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol is C[C@H]1CN(CCc2cccs2)CC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol?
The InChIKey is DGEXSDIRTDWGOA-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H25NOS/c1-15-14-20(10-8-18-7-4-12-22-18)11-9-19(15,2)16-5-3-6-17(21)13-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t15-,19+/m0/s1.
What are the key properties of 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol?
3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol has a molecular weight of 315.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol is sourced from PubChem (CID 10381008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).