2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol

C28H30N2O2 — CID 18354698

IUPAC2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol
SMILESCOc1cc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)ccc1O
InChIInChI=1S/C28H30N2O2/c1-32-26-19-20(11-12-25(26)31)13-16-30-17-14-21(15-18-30)27-23-9-5-6-10-24(23)29-28(27)22-7-3-2-4-8-22/h2-12,19,21,29,31H,13-18H2,1H3
InChIKeyYGXUKOIBHNDJRZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.97
Rot. Bonds6

About 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol

2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol (PubChem CID 18354698) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol
PubChem CID18354698
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol
SMILESCOc1cc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)ccc1O
InChIInChI=1S/C28H30N2O2/c1-32-26-19-20(11-12-25(26)31)13-16-30-17-14-21(15-18-30)27-23-9-5-6-10-24(23)29-28(27)22-7-3-2-4-8-22/h2-12,19,21,29,31H,13-18H2,1H3
InChIKeyYGXUKOIBHNDJRZ-UHFFFAOYSA-N
XLogP5.97
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 43315161
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate;hydrochloride
CID 3077580
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]guanidine
CID 111548877
(3R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-3H-isoindol-1-one
CID 41066035
1-ethyl-2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111780352
4-[2-[4-[2-(6-fluorocyclohexa-1,5-dien-1-yl)oxyethyl]piperidin-1-yl]ethyl]-2-methoxyphenol
CID 70830462
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(4-phenylphenoxy)ethyl]piperidine
CID 54591654
4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane
CID 144539907
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
N-(2-methoxy-5-methylphenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506456
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol (CID 18354698) is 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol is COc1cc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol?
The InChIKey is YGXUKOIBHNDJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-32-26-19-20(11-12-25(26)31)13-16-30-17-14-21(15-18-30)27-23-9-5-6-10-24(23)29-28(27)22-7-3-2-4-8-22/h2-12,19,21,29,31H,13-18H2,1H3.
What are the key properties of 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol?
2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol has a molecular weight of 426.56 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[4-(2-phenyl-1H-indol-3-yl)piperidin-1-yl]ethyl]phenol is sourced from PubChem (CID 18354698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).