2-[(4-piperidin-3-ylphenyl)methyl]morpholine

C16H24N2O — CID 116988313

IUPAC2-[(4-piperidin-3-ylphenyl)methyl]morpholine
SMILESc1cc(C2CCCNC2)ccc1CC1CNCCO1
InChIInChI=1S/C16H24N2O/c1-2-15(11-17-7-1)14-5-3-13(4-6-14)10-16-12-18-8-9-19-16/h3-6,15-18H,1-2,7-12H2
InChIKeyHPHFBIMSGVKVDN-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.68
Rot. Bonds3

About 2-[(4-piperidin-3-ylphenyl)methyl]morpholine

2-[(4-piperidin-3-ylphenyl)methyl]morpholine (PubChem CID 116988313) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(4-piperidin-3-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-piperidin-3-ylphenyl)methyl]morpholine
PubChem CID116988313
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(4-piperidin-3-ylphenyl)methyl]morpholine
SMILESc1cc(C2CCCNC2)ccc1CC1CNCCO1
InChIInChI=1S/C16H24N2O/c1-2-15(11-17-7-1)14-5-3-13(4-6-14)10-16-12-18-8-9-19-16/h3-6,15-18H,1-2,7-12H2
InChIKeyHPHFBIMSGVKVDN-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
3-[(4-cyclobutylphenyl)methyl]piperidine
CID 84793090
3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235
3-(4-ethylphenyl)azepane
CID 83819662
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
3-[4-(2-fluoropropyl)phenyl]piperidine
CID 84687072
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-piperidin-3-ylphenyl)methyl]morpholine?
The IUPAC name of 2-[(4-piperidin-3-ylphenyl)methyl]morpholine (CID 116988313) is 2-[(4-piperidin-3-ylphenyl)methyl]morpholine.
What is the SMILES notation for 2-[(4-piperidin-3-ylphenyl)methyl]morpholine?
The canonical SMILES for 2-[(4-piperidin-3-ylphenyl)methyl]morpholine is c1cc(C2CCCNC2)ccc1CC1CNCCO1.
What is the InChIKey of 2-[(4-piperidin-3-ylphenyl)methyl]morpholine?
The InChIKey is HPHFBIMSGVKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(11-17-7-1)14-5-3-13(4-6-14)10-16-12-18-8-9-19-16/h3-6,15-18H,1-2,7-12H2.
What are the key properties of 2-[(4-piperidin-3-ylphenyl)methyl]morpholine?
2-[(4-piperidin-3-ylphenyl)methyl]morpholine has a molecular weight of 260.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-piperidin-3-ylphenyl)methyl]morpholine is sourced from PubChem (CID 116988313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).