[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone

C17H24N2O2 — CID 99849919

IUPAC[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone
SMILESC[C@@H](O)C1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-12(20)13-7-10-19(11-8-13)17(21)16-15-5-3-2-4-14(15)6-9-18-16/h2-5,12-13,16,18,20H,6-11H2,1H3/t12-,16+/m1/s1
InChIKeyLNVOSNSYMLUQSS-WBMJQRKESA-N
MW288.39 g/mol
LogP1.49
Rot. Bonds2

About [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone

[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone (PubChem CID 99849919) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone
PubChem CID99849919
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone
SMILESC[C@@H](O)C1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O2/c1-12(20)13-7-10-19(11-8-13)17(21)16-15-5-3-2-4-14(15)6-9-18-16/h2-5,12-13,16,18,20H,6-11H2,1H3/t12-,16+/m1/s1
InChIKeyLNVOSNSYMLUQSS-WBMJQRKESA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone with MolForge

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 63978237
(3R)-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)piperidine-3-carboxylic acid
CID 81127897
3-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144521
2-methyl-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79370152
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanone
CID 107217931
2,3-dihydro-1H-isoindol-1-yl-(4-methylpiperazin-1-yl)methanone
CID 115104650
N-[[(3R)-1-[(1S)-1,2,3,4-tetrahydroisoquinoline-1-carbonyl]piperidin-3-yl]methyl]butanamide
CID 99849899
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone?
The IUPAC name of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone (CID 99849919) is [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone.
What is the SMILES notation for [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone?
The canonical SMILES for [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone is C[C@@H](O)C1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1.
What is the InChIKey of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone?
The InChIKey is LNVOSNSYMLUQSS-WBMJQRKESA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(20)13-7-10-19(11-8-13)17(21)16-15-5-3-2-4-14(15)6-9-18-16/h2-5,12-13,16,18,20H,6-11H2,1H3/t12-,16+/m1/s1.
What are the key properties of [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone?
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanone is sourced from PubChem (CID 99849919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).