[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

C22H27NO3 — CID 45244750

IUPAC[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(Cc3ccc(O)cc3)C2)c1
InChIInChI=1S/C22H27NO3/c1-16(2)26-21-7-3-5-18(13-21)22(25)19-6-4-12-23(15-19)14-17-8-10-20(24)11-9-17/h3,5,7-11,13,16,19,24H,4,6,12,14-15H2,1-2H3
InChIKeyZXKOHWKOIVWFQJ-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.27
Rot. Bonds6

About [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (PubChem CID 45244750) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
PubChem CID45244750
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(Cc3ccc(O)cc3)C2)c1
InChIInChI=1S/C22H27NO3/c1-16(2)26-21-7-3-5-18(13-21)22(25)19-6-4-12-23(15-19)14-17-8-10-20(24)11-9-17/h3,5,7-11,13,16,19,24H,4,6,12,14-15H2,1-2H3
InChIKeyZXKOHWKOIVWFQJ-UHFFFAOYSA-N
XLogP4.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 26336876
[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45220380
(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45172268
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45211325
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45195158
(3-propan-2-yloxyphenyl)-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methanone
CID 45197086
N-cyclopropyl-2-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]acetamide
CID 56869733
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25395452

Frequently Asked Questions

What is the IUPAC name of [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (CID 45244750) is [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)C2CCCN(Cc3ccc(O)cc3)C2)c1.
What is the InChIKey of [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is ZXKOHWKOIVWFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(2)26-21-7-3-5-18(13-21)22(25)19-6-4-12-23(15-19)14-17-8-10-20(24)11-9-17/h3,5,7-11,13,16,19,24H,4,6,12,14-15H2,1-2H3.
What are the key properties of [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?
[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 353.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 45244750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).