(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol

C19H25N3O — CID 95336645

IUPAC(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
SMILESC[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-16-13-21(14-17-6-5-9-20-12-17)10-11-22(16)15-19(23)18-7-3-2-4-8-18/h2-9,12,16,19,23H,10-11,13-15H2,1H3/t16-,19+/m1/s1
InChIKeyADAXCTHVPNQCMM-APWZRJJASA-N
MW311.43 g/mol
LogP2.32
Rot. Bonds5

About (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol

(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol (PubChem CID 95336645) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
PubChem CID95336645
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
SMILESC[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-16-13-21(14-17-6-5-9-20-12-17)10-11-22(16)15-19(23)18-7-3-2-4-8-18/h2-9,12,16,19,23H,10-11,13-15H2,1H3/t16-,19+/m1/s1
InChIKeyADAXCTHVPNQCMM-APWZRJJASA-N
XLogP2.32
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol with MolForge

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Related Compounds

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(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
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1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol (CID 95336645) is (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol is C[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is ADAXCTHVPNQCMM-APWZRJJASA-N. The full InChI is InChI=1S/C19H25N3O/c1-16-13-21(14-17-6-5-9-20-12-17)10-11-22(16)15-19(23)18-7-3-2-4-8-18/h2-9,12,16,19,23H,10-11,13-15H2,1H3/t16-,19+/m1/s1.
What are the key properties of (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol?
(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 311.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95336645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).