1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine

C24H32N2O — CID 70159315

IUPAC1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine
SMILESCc1cc(N2CCCCC2)ccc1Oc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O/c1-20-18-22(26-16-6-3-7-17-26)10-13-24(20)27-23-11-8-21(9-12-23)19-25-14-4-2-5-15-25/h8-13,18H,2-7,14-17,19H2,1H3
InChIKeyUFLZCYYAWLBAGZ-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.76
Rot. Bonds5

About 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine

1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine (PubChem CID 70159315) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine.

Molecular Properties

Compound Name1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine
PubChem CID70159315
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine
SMILESCc1cc(N2CCCCC2)ccc1Oc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H32N2O/c1-20-18-22(26-16-6-3-7-17-26)10-13-24(20)27-23-11-8-21(9-12-23)19-25-14-4-2-5-15-25/h8-13,18H,2-7,14-17,19H2,1H3
InChIKeyUFLZCYYAWLBAGZ-UHFFFAOYSA-N
XLogP5.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine?
The IUPAC name of 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine (CID 70159315) is 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine.
What is the SMILES notation for 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine?
The canonical SMILES for 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine is Cc1cc(N2CCCCC2)ccc1Oc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine?
The InChIKey is UFLZCYYAWLBAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-20-18-22(26-16-6-3-7-17-26)10-13-24(20)27-23-11-8-21(9-12-23)19-25-14-4-2-5-15-25/h8-13,18H,2-7,14-17,19H2,1H3.
What are the key properties of 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine?
1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine has a molecular weight of 364.53 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[4-(piperidin-1-ylmethyl)phenoxy]phenyl]piperidine is sourced from PubChem (CID 70159315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).