1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine

C27H33N3O — CID 141189584

IUPAC1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine
SMILESCc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](N1CC=CC=C1Oc1ccccc1)C2
InChIInChI=1S/C27H33N3O/c1-21-11-14-26(29-18-16-28(2)17-19-29)25-20-22(12-13-24(21)25)30-15-7-6-10-27(30)31-23-8-4-3-5-9-23/h3-11,14,22H,12-13,15-20H2,1-2H3/t22-/m1/s1
InChIKeyIUFUEZHODFOTCK-JOCHJYFZSA-N
MW415.58 g/mol
LogP4.40
Rot. Bonds4

About 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine

1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine (PubChem CID 141189584) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine
PubChem CID141189584
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC Name1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine
SMILESCc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](N1CC=CC=C1Oc1ccccc1)C2
InChIInChI=1S/C27H33N3O/c1-21-11-14-26(29-18-16-28(2)17-19-29)25-20-22(12-13-24(21)25)30-15-7-6-10-27(30)31-23-8-4-3-5-9-23/h3-11,14,22H,12-13,15-20H2,1-2H3/t22-/m1/s1
InChIKeyIUFUEZHODFOTCK-JOCHJYFZSA-N
XLogP4.40
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine (CID 141189584) is 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine is Cc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](N1CC=CC=C1Oc1ccccc1)C2.
What is the InChIKey of 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine?
The InChIKey is IUFUEZHODFOTCK-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H33N3O/c1-21-11-14-26(29-18-16-28(2)17-19-29)25-20-22(12-13-24(21)25)30-15-7-6-10-27(30)31-23-8-4-3-5-9-23/h3-11,14,22H,12-13,15-20H2,1-2H3/t22-/m1/s1.
What are the key properties of 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine?
1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine has a molecular weight of 415.58 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(7R)-4-methyl-7-(6-phenoxy-2H-pyridin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazine is sourced from PubChem (CID 141189584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).