4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine

C18H28N2O — CID 117466215

IUPAC4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine
SMILESc1cc(CC2CCNCC2)ccc1CCN1CCOCC1
InChIInChI=1S/C18H28N2O/c1-3-17(15-18-5-8-19-9-6-18)4-2-16(1)7-10-20-11-13-21-14-12-20/h1-4,18-19H,5-15H2
InChIKeyNMVWTOBWANZBKB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.10
Rot. Bonds5

About 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine

4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine (PubChem CID 117466215) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine
PubChem CID117466215
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine
SMILESc1cc(CC2CCNCC2)ccc1CCN1CCOCC1
InChIInChI=1S/C18H28N2O/c1-3-17(15-18-5-8-19-9-6-18)4-2-16(1)7-10-20-11-13-21-14-12-20/h1-4,18-19H,5-15H2
InChIKeyNMVWTOBWANZBKB-UHFFFAOYSA-N
XLogP2.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine (CID 117466215) is 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine is c1cc(CC2CCNCC2)ccc1CCN1CCOCC1.
What is the InChIKey of 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine?
The InChIKey is NMVWTOBWANZBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-17(15-18-5-8-19-9-6-18)4-2-16(1)7-10-20-11-13-21-14-12-20/h1-4,18-19H,5-15H2.
What are the key properties of 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine?
4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine has a molecular weight of 288.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(piperidin-4-ylmethyl)phenyl]ethyl]morpholine is sourced from PubChem (CID 117466215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).