(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone

C15H20N2O2 — CID 93375324

IUPAC(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H20N2O2/c18-13-5-4-11-6-8-17(10-12(11)9-13)15(19)14-3-1-2-7-16-14/h4-5,9,14,16,18H,1-3,6-8,10H2/t14-/m0/s1
InChIKeyMMASSAQRJXOFSQ-AWEZNQCLSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds1

About (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 93375324) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID93375324
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H20N2O2/c18-13-5-4-11-6-8-17(10-12(11)9-13)15(19)14-3-1-2-7-16-14/h4-5,9,14,16,18H,1-3,6-8,10H2/t14-/m0/s1
InChIKeyMMASSAQRJXOFSQ-AWEZNQCLSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Jdtic
CID 9956146
H-Dmt-Tic-Gly-NH-Bzl
CID 10864183
H-Dmt-Tic-Glu-NH2
CID 11156202
H-2',6'-dimethyltyrosine-Tic-OH
CID 15384271
H-Dmt-Tic-Glu-NH-(CH2)5-NH2
CID 44421433
AT-076
CID 91938095
1,6-bis-(N,N-dimethyl-Dmt-Tic-NH)hexane
CID 44405153
1,4-bis-(Dmt-Tic-amino)butane
CID 44405158
1,6-bis-(Dmt-Tic-amino)hexane
CID 44405159
1,10-bis-(Dmt-Tic-amino)decane
CID 44405160
H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H
CID 44405653
H-Dmt-Tic-NH-(CH2)6-NH-Tic-H
CID 44405654

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone (CID 93375324) is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1)N1CCc2ccc(O)cc2C1.
What is the InChIKey of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is MMASSAQRJXOFSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-13-5-4-11-6-8-17(10-12(11)9-13)15(19)14-3-1-2-7-16-14/h4-5,9,14,16,18H,1-3,6-8,10H2/t14-/m0/s1.
What are the key properties of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone?
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 93375324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).