1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one

C20H31N3O2 — CID 95607291

IUPAC1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNCC1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c24-19(18-5-2-1-3-6-18)16-22-12-8-17(9-13-22)15-21-10-14-23-11-4-7-20(23)25/h1-3,5-6,17,19,21,24H,4,7-16H2/t19-/m1/s1
InChIKeyYUYMTJPQWJANFR-LJQANCHMSA-N
MW345.49 g/mol
LogP1.64
Rot. Bonds8

About 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one

1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one (PubChem CID 95607291) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
PubChem CID95607291
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCNCC1CCN(C[C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C20H31N3O2/c24-19(18-5-2-1-3-6-18)16-22-12-8-17(9-13-22)15-21-10-14-23-11-4-7-20(23)25/h1-3,5-6,17,19,21,24H,4,7-16H2/t19-/m1/s1
InChIKeyYUYMTJPQWJANFR-LJQANCHMSA-N
XLogP1.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95300593
1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 95304874
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
CID 4213266
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
1-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111496583
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111471868
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one (CID 95607291) is 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one is O=C1CCCN1CCNCC1CCN(C[C@@H](O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is YUYMTJPQWJANFR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-19(18-5-2-1-3-6-18)16-22-12-8-17(9-13-22)15-21-10-14-23-11-4-7-20(23)25/h1-3,5-6,17,19,21,24H,4,7-16H2/t19-/m1/s1.
What are the key properties of 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 345.49 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 95607291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).