(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone

C20H28N2O3 — CID 56902222

IUPAC(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
SMILESO=C(C1[C@H]2CN(CCOCc3ccccc3)C[C@@H]12)N1CCC(O)CC1
InChIInChI=1S/C20H28N2O3/c23-16-6-8-22(9-7-16)20(24)19-17-12-21(13-18(17)19)10-11-25-14-15-4-2-1-3-5-15/h1-5,16-19,23H,6-14H2/t17-,18+,19?
InChIKeyLNMFSMUFMPQVBQ-DFNIBXOVSA-N
MW344.45 g/mol
LogP1.36
Rot. Bonds6

About (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone

(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone (PubChem CID 56902222) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
PubChem CID56902222
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone
SMILESO=C(C1[C@H]2CN(CCOCc3ccccc3)C[C@@H]12)N1CCC(O)CC1
InChIInChI=1S/C20H28N2O3/c23-16-6-8-22(9-7-16)20(24)19-17-12-21(13-18(17)19)10-11-25-14-15-4-2-1-3-5-15/h1-5,16-19,23H,6-14H2/t17-,18+,19?
InChIKeyLNMFSMUFMPQVBQ-DFNIBXOVSA-N
XLogP1.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.36
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-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one
CID 56909574
[6-hydroxy-4-(2-phenylmethoxyethyl)-1,4-diazepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 74246636
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
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
(3S,4R)-3-benzyl-3-(hydroxymethyl)-1-(4-phenylmethoxybutyl)piperidin-4-ol
CID 155497301
3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazine-1-carboxylic acid
CID 90345091
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone (CID 56902222) is (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone is O=C(C1[C@H]2CN(CCOCc3ccccc3)C[C@@H]12)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
The InChIKey is LNMFSMUFMPQVBQ-DFNIBXOVSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-16-6-8-22(9-7-16)20(24)19-17-12-21(13-18(17)19)10-11-25-14-15-4-2-1-3-5-15/h1-5,16-19,23H,6-14H2/t17-,18+,19?.
What are the key properties of (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone?
(4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone has a molecular weight of 344.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[(1S,5R)-3-(2-phenylmethoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanone is sourced from PubChem (CID 56902222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).