1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one

C21H32N2O3 — CID 56909574

IUPAC1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
SMILESO=C(CCCOCc1ccccc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C21H32N2O3/c24-20-10-14-22(15-11-20)19-8-12-23(13-9-19)21(25)7-4-16-26-17-18-5-2-1-3-6-18/h1-3,5-6,19-20,24H,4,7-17H2
InChIKeyQGBTWVUHMLKPRS-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.43
Rot. Bonds7

About 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one

1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one (PubChem CID 56909574) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
PubChem CID56909574
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
SMILESO=C(CCCOCc1ccccc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C21H32N2O3/c24-20-10-14-22(15-11-20)19-8-12-23(13-9-19)21(25)7-4-16-26-17-18-5-2-1-3-6-18/h1-3,5-6,19-20,24H,4,7-17H2
InChIKeyQGBTWVUHMLKPRS-UHFFFAOYSA-N
XLogP2.43
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 56895278
4-phenylmethoxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 49374332
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
4-phenylmethoxy-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 91772094
1-(4-cyclopentylpiperazin-1-yl)-4-phenoxybutan-1-one
CID 110741288
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenylmethoxypropan-1-one;hydrochloride
CID 119410321
(3S,4S)-4-cyclopropyl-1-(4-phenylmethoxybutanoyl)pyrrolidine-3-carboxylic acid
CID 86283350
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
CID 56902222
(1R,5S)-6-methyl-3-(4-phenylmethoxybutanoyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133136699

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one?
The IUPAC name of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one (CID 56909574) is 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one?
The canonical SMILES for 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one is O=C(CCCOCc1ccccc1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one?
The InChIKey is QGBTWVUHMLKPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-20-10-14-22(15-11-20)19-8-12-23(13-9-19)21(25)7-4-16-26-17-18-5-2-1-3-6-18/h1-3,5-6,19-20,24H,4,7-17H2.
What are the key properties of 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one?
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one is sourced from PubChem (CID 56909574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).