(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol

C20H26N2O — CID 19918405

IUPAC(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol
SMILESCN1CCC(C(O)c2ncccc2CCc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-22-14-11-18(12-15-22)20(23)19-17(8-5-13-21-19)10-9-16-6-3-2-4-7-16/h2-8,13,18,20,23H,9-12,14-15H2,1H3
InChIKeyFLRYTDWPOBHMTR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.24
Rot. Bonds5

About (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol

(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol (PubChem CID 19918405) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol
PubChem CID19918405
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol
SMILESCN1CCC(C(O)c2ncccc2CCc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-22-14-11-18(12-15-22)20(23)19-17(8-5-13-21-19)10-9-16-6-3-2-4-7-16/h2-8,13,18,20,23H,9-12,14-15H2,1H3
InChIKeyFLRYTDWPOBHMTR-UHFFFAOYSA-N
XLogP3.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol?
The IUPAC name of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol (CID 19918405) is (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol.
What is the SMILES notation for (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol?
The canonical SMILES for (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol is CN1CCC(C(O)c2ncccc2CCc2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol?
The InChIKey is FLRYTDWPOBHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-22-14-11-18(12-15-22)20(23)19-17(8-5-13-21-19)10-9-16-6-3-2-4-7-16/h2-8,13,18,20,23H,9-12,14-15H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol?
(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol has a molecular weight of 310.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 19918405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).