3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol

C29H29NO2 — CID 22126774

IUPAC3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(Cc3ccccc3)CC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C29H29NO2/c31-27-12-6-11-26(18-27)28-15-16-30(19-22-7-2-1-3-8-22)20-29(28)32-21-23-13-14-24-9-4-5-10-25(24)17-23/h1-14,17-18,28-29,31H,15-16,19-21H2
InChIKeyRNNQCNRKQICPJV-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.12
Rot. Bonds6

About 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol

3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol (PubChem CID 22126774) has the molecular formula C29H29NO2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol
PubChem CID22126774
Molecular FormulaC29H29NO2
Molecular Weight423.56 g/mol
Exact Mass423.22
IUPAC Name3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(Cc3ccccc3)CC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C29H29NO2/c31-27-12-6-11-26(18-27)28-15-16-30(19-22-7-2-1-3-8-22)20-29(28)32-21-23-13-14-24-9-4-5-10-25(24)17-23/h1-14,17-18,28-29,31H,15-16,19-21H2
InChIKeyRNNQCNRKQICPJV-UHFFFAOYSA-N
XLogP6.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(naphthalen-2-ylmethoxy)-4-(3-phenylmethoxyphenyl)piperidine;2-(bromomethyl)naphthalene
CID 157424793
1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
[3-(naphthalen-2-ylmethoxy)-4-[4-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]phenyl]piperidin-1-yl]methanol
CID 56982232
2,2,2-trichloroethyl 4-[3-(3-hydroxypropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 54231976
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
1-(dichloromethyl)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylprop-2-enoxy)phenyl]piperidine
CID 57249304
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829
4-[4-[2-(4-bromophenoxy)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
CID 22128667

Frequently Asked Questions

What is the IUPAC name of 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol?
The IUPAC name of 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol (CID 22126774) is 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol is Oc1cccc(C2CCN(Cc3ccccc3)CC2OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol?
The InChIKey is RNNQCNRKQICPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO2/c31-27-12-6-11-26(18-27)28-15-16-30(19-22-7-2-1-3-8-22)20-29(28)32-21-23-13-14-24-9-4-5-10-25(24)17-23/h1-14,17-18,28-29,31H,15-16,19-21H2.
What are the key properties of 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol?
3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol has a molecular weight of 423.56 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzyl-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenol is sourced from PubChem (CID 22126774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).