[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol

C23H25NO2 — CID 70130180

IUPAC[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
SMILESOCc1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25NO2/c25-15-17-4-3-7-21(12-17)22-10-11-24-14-23(22)26-16-18-8-9-19-5-1-2-6-20(19)13-18/h1-9,12-13,22-25H,10-11,14-16H2
InChIKeyVEPHPBHKJNFSIA-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.99
Rot. Bonds5

About [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol

[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol (PubChem CID 70130180) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
PubChem CID70130180
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
SMILESOCc1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25NO2/c25-15-17-4-3-7-21(12-17)22-10-11-24-14-23(22)26-16-18-8-9-19-5-1-2-6-20(19)13-18/h1-9,12-13,22-25H,10-11,14-16H2
InChIKeyVEPHPBHKJNFSIA-UHFFFAOYSA-N
XLogP3.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
tert-butyl formate;[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 174435135
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
(3R,4S)-4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 129385045
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
4-(2-fluorophenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128272
1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol
CID 70129566
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
CID 174421641
N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 67542525

Frequently Asked Questions

What is the IUPAC name of [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol?
The IUPAC name of [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol (CID 70130180) is [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol?
The canonical SMILES for [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol is OCc1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1.
What is the InChIKey of [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol?
The InChIKey is VEPHPBHKJNFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c25-15-17-4-3-7-21(12-17)22-10-11-24-14-23(22)26-16-18-8-9-19-5-1-2-6-20(19)13-18/h1-9,12-13,22-25H,10-11,14-16H2.
What are the key properties of [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol?
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol has a molecular weight of 347.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol is sourced from PubChem (CID 70130180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).