(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine

C18H23N3O — CID 124742417

IUPAC(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine
SMILESCOc1ccnc(CN2CCN(C)C[C@H]2c2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-20-10-11-21(13-16-12-17(22-2)8-9-19-16)18(14-20)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyXYDZNKOYWHVPKB-SFHVURJKSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds4

About (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine

(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine (PubChem CID 124742417) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine
PubChem CID124742417
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine
SMILESCOc1ccnc(CN2CCN(C)C[C@H]2c2ccccc2)c1
InChIInChI=1S/C18H23N3O/c1-20-10-11-21(13-16-12-17(22-2)8-9-19-16)18(14-20)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyXYDZNKOYWHVPKB-SFHVURJKSA-N
XLogP2.58
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine?
The IUPAC name of (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine (CID 124742417) is (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine.
What is the SMILES notation for (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine?
The canonical SMILES for (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine is COc1ccnc(CN2CCN(C)C[C@H]2c2ccccc2)c1.
What is the InChIKey of (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine?
The InChIKey is XYDZNKOYWHVPKB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O/c1-20-10-11-21(13-16-12-17(22-2)8-9-19-16)18(14-20)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine?
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine has a molecular weight of 297.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine is sourced from PubChem (CID 124742417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).