[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone

C22H27NO3 — CID 87022270

IUPAC[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(CC(O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27NO3/c1-17-7-9-18(10-8-17)22(25)19-11-13-23(14-12-19)15-20(24)16-26-21-5-3-2-4-6-21/h2-10,19-20,24H,11-16H2,1H3
InChIKeyFTQVXGLXJSCTLE-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.33
Rot. Bonds7

About [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone

[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 87022270) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID87022270
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(CC(O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C22H27NO3/c1-17-7-9-18(10-8-17)22(25)19-11-13-23(14-12-19)15-20(24)16-26-21-5-3-2-4-6-21/h2-10,19-20,24H,11-16H2,1H3
InChIKeyFTQVXGLXJSCTLE-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxy-3-[4-(4-methylbenzoyl)piperidin-1-yl]propoxy]benzonitrile
CID 55865672
4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 55504363
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 78903776
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-4-yl]-3-phenylurea
CID 86831832
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone (CID 87022270) is [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(CC(O)COc3ccccc3)CC2)cc1.
What is the InChIKey of [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is FTQVXGLXJSCTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17-7-9-18(10-8-17)22(25)19-11-13-23(14-12-19)15-20(24)16-26-21-5-3-2-4-6-21/h2-10,19-20,24H,11-16H2,1H3.
What are the key properties of [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone?
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 353.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 87022270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).