2-[3-(piperidin-1-ylmethyl)phenyl]morpholine

C16H24N2O — CID 117405596

IUPAC2-[3-(piperidin-1-ylmethyl)phenyl]morpholine
SMILESc1cc(CN2CCCCC2)cc(C2CNCCO2)c1
InChIInChI=1S/C16H24N2O/c1-2-8-18(9-3-1)13-14-5-4-6-15(11-14)16-12-17-7-10-19-16/h4-6,11,16-17H,1-3,7-10,12-13H2
InChIKeyTVWNQLVHHZVXPB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.33
Rot. Bonds3

About 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine

2-[3-(piperidin-1-ylmethyl)phenyl]morpholine (PubChem CID 117405596) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[3-(piperidin-1-ylmethyl)phenyl]morpholine
PubChem CID117405596
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[3-(piperidin-1-ylmethyl)phenyl]morpholine
SMILESc1cc(CN2CCCCC2)cc(C2CNCCO2)c1
InChIInChI=1S/C16H24N2O/c1-2-8-18(9-3-1)13-14-5-4-6-15(11-14)16-12-17-7-10-19-16/h4-6,11,16-17H,1-3,7-10,12-13H2
InChIKeyTVWNQLVHHZVXPB-UHFFFAOYSA-N
XLogP2.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]morpholine
CID 117446560
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]morpholine
CID 174742097
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
azane;2-phenylmorpholine
CID 174664757
tert-butyl N-[(3-morpholin-2-ylphenyl)methyl]carbamate
CID 117472224
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]morpholine-2-carboxamide
CID 119867295
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588

Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine?
The IUPAC name of 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine (CID 117405596) is 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine.
What is the SMILES notation for 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine?
The canonical SMILES for 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine is c1cc(CN2CCCCC2)cc(C2CNCCO2)c1.
What is the InChIKey of 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine?
The InChIKey is TVWNQLVHHZVXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-8-18(9-3-1)13-14-5-4-6-15(11-14)16-12-17-7-10-19-16/h4-6,11,16-17H,1-3,7-10,12-13H2.
What are the key properties of 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine?
2-[3-(piperidin-1-ylmethyl)phenyl]morpholine has a molecular weight of 260.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidin-1-ylmethyl)phenyl]morpholine is sourced from PubChem (CID 117405596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).