(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol

C18H28N2O — CID 3246247

IUPAC(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCCN(C[C@@H](O)CN2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2O/c1-15-6-4-10-19(12-15)13-17(21)14-20-11-5-8-16-7-2-3-9-18(16)20/h2-3,7,9,15,17,21H,4-6,8,10-14H2,1H3/t15-,17-/m1/s1
InChIKeyVOGJJIQUEMRFQF-NVXWUHKLSA-N
MW288.43 g/mol
LogP2.53
Rot. Bonds4

About (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol

(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol (PubChem CID 3246247) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
PubChem CID3246247
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
SMILESC[C@@H]1CCCN(C[C@@H](O)CN2CCCc3ccccc32)C1
InChIInChI=1S/C18H28N2O/c1-15-6-4-10-19(12-15)13-17(21)14-20-11-5-8-16-7-2-3-9-18(16)20/h2-3,7,9,15,17,21H,4-6,8,10-14H2,1H3/t15-,17-/m1/s1
InChIKeyVOGJJIQUEMRFQF-NVXWUHKLSA-N
XLogP2.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol (CID 3246247) is (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol is C[C@@H]1CCCN(C[C@@H](O)CN2CCCc3ccccc32)C1.
What is the InChIKey of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
The InChIKey is VOGJJIQUEMRFQF-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-6-4-10-19(12-15)13-17(21)14-20-11-5-8-16-7-2-3-9-18(16)20/h2-3,7,9,15,17,21H,4-6,8,10-14H2,1H3/t15-,17-/m1/s1.
What are the key properties of (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol?
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol has a molecular weight of 288.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 3246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).