(2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol

C20H29N3O2 — CID 92526226

IUPAC(2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol
SMILESCOc1cc(NC[C@H](O)CN2CC[C@H](C)C[C@@H]2C)c2ncccc2c1
InChIInChI=1S/C20H29N3O2/c1-14-6-8-23(15(2)9-14)13-17(24)12-22-19-11-18(25-3)10-16-5-4-7-21-20(16)19/h4-5,7,10-11,14-15,17,22,24H,6,8-9,12-13H2,1-3H3/t14-,15-,17-/m0/s1
InChIKeyASZGOXIFKOHFFV-ZOBUZTSGSA-N
MW343.47 g/mol
LogP3.14
Rot. Bonds6

About (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol

(2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol (PubChem CID 92526226) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol
PubChem CID92526226
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol
SMILESCOc1cc(NC[C@H](O)CN2CC[C@H](C)C[C@@H]2C)c2ncccc2c1
InChIInChI=1S/C20H29N3O2/c1-14-6-8-23(15(2)9-14)13-17(24)12-22-19-11-18(25-3)10-16-5-4-7-21-20(16)19/h4-5,7,10-11,14-15,17,22,24H,6,8-9,12-13H2,1-3H3/t14-,15-,17-/m0/s1
InChIKeyASZGOXIFKOHFFV-ZOBUZTSGSA-N
XLogP3.14
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol (CID 92526226) is (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol is COc1cc(NC[C@H](O)CN2CC[C@H](C)C[C@@H]2C)c2ncccc2c1.
What is the InChIKey of (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol?
The InChIKey is ASZGOXIFKOHFFV-ZOBUZTSGSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-6-8-23(15(2)9-14)13-17(24)12-22-19-11-18(25-3)10-16-5-4-7-21-20(16)19/h4-5,7,10-11,14-15,17,22,24H,6,8-9,12-13H2,1-3H3/t14-,15-,17-/m0/s1.
What are the key properties of (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol?
(2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-3-[(6-methoxyquinolin-8-yl)amino]propan-2-ol is sourced from PubChem (CID 92526226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).