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

C23H31N3O — CID 162647878

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine
SMILESCOc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cn1
InChIInChI=1S/C23H31N3O/c1-27-23-12-7-19(17-24-23)18-25-13-15-26(16-14-25)22-10-8-21(9-11-22)20-5-3-2-4-6-20/h2-7,12,17,21-22H,8-11,13-16,18H2,1H3
InChIKeyVOUCHUMQQGFYDV-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.93
Rot. Bonds5

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

1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine (PubChem CID 162647878) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine
PubChem CID162647878
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine
SMILESCOc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cn1
InChIInChI=1S/C23H31N3O/c1-27-23-12-7-19(17-24-23)18-25-13-15-26(16-14-25)22-10-8-21(9-11-22)20-5-3-2-4-6-20/h2-7,12,17,21-22H,8-11,13-16,18H2,1H3
InChIKeyVOUCHUMQQGFYDV-UHFFFAOYSA-N
XLogP3.93
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine (CID 162647878) is 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine is COc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
The InChIKey is VOUCHUMQQGFYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-27-23-12-7-19(17-24-23)18-25-13-15-26(16-14-25)22-10-8-21(9-11-22)20-5-3-2-4-6-20/h2-7,12,17,21-22H,8-11,13-16,18H2,1H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine has a molecular weight of 365.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-4-(4-phenylcyclohexyl)piperazine is sourced from PubChem (CID 162647878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).