[(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol

C23H26N2O — CID 95204814

IUPAC[(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@@]1(CCc2ccccc2)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C23H26N2O/c26-18-23(15-13-19-7-2-1-3-8-19)14-6-16-25(17-23)22-12-11-20-9-4-5-10-21(20)24-22/h1-5,7-12,26H,6,13-18H2/t23-/m1/s1
InChIKeyJLCUDRFLTQDLQS-HSZRJFAPSA-N
MW346.47 g/mol
LogP4.45
Rot. Bonds5

About [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol

[(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol (PubChem CID 95204814) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol
PubChem CID95204814
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name[(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol
SMILESOC[C@@]1(CCc2ccccc2)CCCN(c2ccc3ccccc3n2)C1
InChIInChI=1S/C23H26N2O/c26-18-23(15-13-19-7-2-1-3-8-19)14-6-16-25(17-23)22-12-11-20-9-4-5-10-21(20)24-22/h1-5,7-12,26H,6,13-18H2/t23-/m1/s1
InChIKeyJLCUDRFLTQDLQS-HSZRJFAPSA-N
XLogP4.45
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol (CID 95204814) is [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol is OC[C@@]1(CCc2ccccc2)CCCN(c2ccc3ccccc3n2)C1.
What is the InChIKey of [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol?
The InChIKey is JLCUDRFLTQDLQS-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N2O/c26-18-23(15-13-19-7-2-1-3-8-19)14-6-16-25(17-23)22-12-11-20-9-4-5-10-21(20)24-22/h1-5,7-12,26H,6,13-18H2/t23-/m1/s1.
What are the key properties of [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol?
[(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol has a molecular weight of 346.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-phenylethyl)-1-quinolin-2-ylpiperidin-3-yl]methanol is sourced from PubChem (CID 95204814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).