3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol

C23H31NO2 — CID 10338178

IUPAC3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
SMILESCOc1ccccc1CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1
InChIInChI=1S/C23H31NO2/c1-18-17-24(14-7-9-19-8-4-5-12-22(19)26-3)15-13-23(18,2)20-10-6-11-21(25)16-20/h4-6,8,10-12,16,18,25H,7,9,13-15,17H2,1-3H3/t18-,23+/m0/s1
InChIKeyWFPPMRLHRNARMQ-FDDCHVKYSA-N
MW353.51 g/mol
LogP4.63
Rot. Bonds6

About 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol

3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol (PubChem CID 10338178) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
PubChem CID10338178
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
SMILESCOc1ccccc1CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1
InChIInChI=1S/C23H31NO2/c1-18-17-24(14-7-9-19-8-4-5-12-22(19)26-3)15-13-23(18,2)20-10-6-11-21(25)16-20/h4-6,8,10-12,16,18,25H,7,9,13-15,17H2,1-3H3/t18-,23+/m0/s1
InChIKeyWFPPMRLHRNARMQ-FDDCHVKYSA-N
XLogP4.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol (CID 10338178) is 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol is COc1ccccc1CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1.
What is the InChIKey of 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
The InChIKey is WFPPMRLHRNARMQ-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-18-17-24(14-7-9-19-8-4-5-12-22(19)26-3)15-13-23(18,2)20-10-6-11-21(25)16-20/h4-6,8,10-12,16,18,25H,7,9,13-15,17H2,1-3H3/t18-,23+/m0/s1.
What are the key properties of 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol?
3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol has a molecular weight of 353.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-1-[3-(2-methoxyphenyl)propyl]-3,4-dimethylpiperidin-4-yl]phenol is sourced from PubChem (CID 10338178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).