4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine

C23H30N2O — CID 44588214

IUPAC4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
SMILESc1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCCCC1
InChIInChI=1S/C23H30N2O/c1-2-12-24(13-3-1)18-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-25-14-16-26-17-15-25/h4-11H,1-3,12-19H2
InChIKeyCLHOFEGUPHQCTG-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.17
Rot. Bonds5

About 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine

4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine (PubChem CID 44588214) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
PubChem CID44588214
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
SMILESc1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCCCC1
InChIInChI=1S/C23H30N2O/c1-2-12-24(13-3-1)18-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-25-14-16-26-17-15-25/h4-11H,1-3,12-19H2
InChIKeyCLHOFEGUPHQCTG-UHFFFAOYSA-N
XLogP4.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728
2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111411698
1-[[4-[4-(nitrosomethyl)phenyl]phenyl]methyl]pyrrolidine
CID 90956572
1-[(4-methylphenyl)methyl]azepane
CID 3951815
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine (CID 44588214) is 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine is c1cc(-c2ccc(CN3CCOCC3)cc2)ccc1CN1CCCCC1.
What is the InChIKey of 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
The InChIKey is CLHOFEGUPHQCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-12-24(13-3-1)18-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-25-14-16-26-17-15-25/h4-11H,1-3,12-19H2.
What are the key properties of 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine?
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine has a molecular weight of 350.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine is sourced from PubChem (CID 44588214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).