[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone

C19H21NO3 — CID 51327321

IUPAC[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21NO3/c1-23-18-5-3-2-4-17(18)19(22)20-12-10-15(11-13-20)14-6-8-16(21)9-7-14/h2-9,15,21H,10-13H2,1H3
InChIKeySSZINQOMBDPDHK-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.42
Rot. Bonds3

About [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone

[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 51327321) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID51327321
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H21NO3/c1-23-18-5-3-2-4-17(18)19(22)20-12-10-15(11-13-20)14-6-8-16(21)9-7-14/h2-9,15,21H,10-13H2,1H3
InChIKeySSZINQOMBDPDHK-UHFFFAOYSA-N
XLogP3.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 51327506
(2-methoxyphenyl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786960
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 110289890
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 51329444
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 51327321) is [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is SSZINQOMBDPDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-18-5-3-2-4-17(18)19(22)20-12-10-15(11-13-20)14-6-8-16(21)9-7-14/h2-9,15,21H,10-13H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 51327321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).