4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol

C19H23NO2 — CID 78833986

IUPAC4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
SMILESCOc1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C19H23NO2/c1-22-19-4-2-3-15(13-19)14-20-11-9-17(10-12-20)16-5-7-18(21)8-6-16/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyXPHDBTSYHWEMFZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.78
Rot. Bonds4

About 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol

4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol (PubChem CID 78833986) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
PubChem CID78833986
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
SMILESCOc1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1
InChIInChI=1S/C19H23NO2/c1-22-19-4-2-3-15(13-19)14-20-11-9-17(10-12-20)16-5-7-18(21)8-6-16/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyXPHDBTSYHWEMFZ-UHFFFAOYSA-N
XLogP3.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol?
The IUPAC name of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol (CID 78833986) is 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol is COc1cccc(CN2CCC(c3ccc(O)cc3)CC2)c1.
What is the InChIKey of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol?
The InChIKey is XPHDBTSYHWEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-22-19-4-2-3-15(13-19)14-20-11-9-17(10-12-20)16-5-7-18(21)8-6-16/h2-8,13,17,21H,9-12,14H2,1H3.
What are the key properties of 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol?
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol has a molecular weight of 297.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 78833986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).