[4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone

C18H26N2O3 — CID 167932984

IUPAC[4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone
SMILESCOC1CNCCC1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-23-17-12-19-9-6-16(17)18(22)20-10-7-14(8-11-20)13-2-4-15(21)5-3-13/h2-5,14,16-17,19,21H,6-12H2,1H3
InChIKeyWZQDOSGYXXISPB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.72
Rot. Bonds3

About [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone

[4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone (PubChem CID 167932984) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone
PubChem CID167932984
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone
SMILESCOC1CNCCC1C(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-23-17-12-19-9-6-16(17)18(22)20-10-7-14(8-11-20)13-2-4-15(21)5-3-13/h2-5,14,16-17,19,21H,6-12H2,1H3
InChIKeyWZQDOSGYXXISPB-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
CID 139353797
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 115593371
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 51327506
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
4-[1-(2-methylcyclobutanecarbonyl)piperidin-4-yl]benzonitrile
CID 174892501
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
CID 119700717

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone (CID 167932984) is [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone is COC1CNCCC1C(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone?
The InChIKey is WZQDOSGYXXISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-17-12-19-9-6-16(17)18(22)20-10-7-14(8-11-20)13-2-4-15(21)5-3-13/h2-5,14,16-17,19,21H,6-12H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone?
[4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperidin-1-yl]-(3-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 167932984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).