3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine

C15H23N3O — CID 82895989

IUPAC3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine
SMILESCOc1cc(C)nc(CN2CCNC(C3CC3)C2)c1
InChIInChI=1S/C15H23N3O/c1-11-7-14(19-2)8-13(17-11)9-18-6-5-16-15(10-18)12-3-4-12/h7-8,12,15-16H,3-6,9-10H2,1-2H3
InChIKeyYUVDXNIDDSILAK-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.58
Rot. Bonds4

About 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine

3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 82895989) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID82895989
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine
SMILESCOc1cc(C)nc(CN2CCNC(C3CC3)C2)c1
InChIInChI=1S/C15H23N3O/c1-11-7-14(19-2)8-13(17-11)9-18-6-5-16-15(10-18)12-3-4-12/h7-8,12,15-16H,3-6,9-10H2,1-2H3
InChIKeyYUVDXNIDDSILAK-UHFFFAOYSA-N
XLogP1.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine (CID 82895989) is 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine is COc1cc(C)nc(CN2CCNC(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is YUVDXNIDDSILAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-7-14(19-2)8-13(17-11)9-18-6-5-16-15(10-18)12-3-4-12/h7-8,12,15-16H,3-6,9-10H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine?
3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 261.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 82895989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).