1,4-diphenylbenzene;1-methylpiperidine

C24H27N — CID 175507613

IUPAC1,4-diphenylbenzene;1-methylpiperidine
SMILESCN1CCCCC1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C6H13N/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-7-5-3-2-4-6-7/h1-14H;2-6H2,1H3
InChIKeyXWRMFPKCMQRXOI-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.12
Rot. Bonds2

About 1,4-diphenylbenzene;1-methylpiperidine

1,4-diphenylbenzene;1-methylpiperidine (PubChem CID 175507613) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 1,4-diphenylbenzene;1-methylpiperidine.

Molecular Properties

Compound Name1,4-diphenylbenzene;1-methylpiperidine
PubChem CID175507613
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name1,4-diphenylbenzene;1-methylpiperidine
SMILESCN1CCCCC1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C6H13N/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-7-5-3-2-4-6-7/h1-14H;2-6H2,1H3
InChIKeyXWRMFPKCMQRXOI-UHFFFAOYSA-N
XLogP6.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbenzene;1-methylpiperidine?
The IUPAC name of 1,4-diphenylbenzene;1-methylpiperidine (CID 175507613) is 1,4-diphenylbenzene;1-methylpiperidine.
What is the SMILES notation for 1,4-diphenylbenzene;1-methylpiperidine?
The canonical SMILES for 1,4-diphenylbenzene;1-methylpiperidine is CN1CCCCC1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;1-methylpiperidine?
The InChIKey is XWRMFPKCMQRXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C6H13N/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-7-5-3-2-4-6-7/h1-14H;2-6H2,1H3.
What are the key properties of 1,4-diphenylbenzene;1-methylpiperidine?
1,4-diphenylbenzene;1-methylpiperidine has a molecular weight of 329.49 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;1-methylpiperidine is sourced from PubChem (CID 175507613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).