1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one

C22H34N2O2 — CID 26316227

IUPAC1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCC[C@@H](N2CCC(CO)CC2)C1
InChIInChI=1S/C22H34N2O2/c25-18-20-12-15-23(16-13-20)21-10-6-14-24(17-21)22(26)11-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,20-21,25H,4-6,9-18H2/t21-/m1/s1
InChIKeyYOQHOVGFWQIQKM-OAQYLSRUSA-N
MW358.53 g/mol
LogP3.09
Rot. Bonds7

About 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one

1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one (PubChem CID 26316227) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one
PubChem CID26316227
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCC[C@@H](N2CCC(CO)CC2)C1
InChIInChI=1S/C22H34N2O2/c25-18-20-12-15-23(16-13-20)21-10-6-14-24(17-21)22(26)11-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,20-21,25H,4-6,9-18H2/t21-/m1/s1
InChIKeyYOQHOVGFWQIQKM-OAQYLSRUSA-N
XLogP3.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 153068459
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-oxohexanoic acid
CID 63150889
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
CID 45210373
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(2-phenylethylsulfanyl)ethanone
CID 43422150
2-chloro-N-[[1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 45249030
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 26402341
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-5-phenylpentan-1-one
CID 121153497

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one (CID 26316227) is 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one is O=C(CCCCc1ccccc1)N1CCC[C@@H](N2CCC(CO)CC2)C1.
What is the InChIKey of 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one?
The InChIKey is YOQHOVGFWQIQKM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H34N2O2/c25-18-20-12-15-23(16-13-20)21-10-6-14-24(17-21)22(26)11-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,20-21,25H,4-6,9-18H2/t21-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one?
1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one has a molecular weight of 358.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 26316227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).