2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine

C16H23ClN2O — CID 119930317

IUPAC2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
SMILESClc1ccc(C2CN(CC3CCNCC3)CCO2)cc1
InChIInChI=1S/C16H23ClN2O/c17-15-3-1-14(2-4-15)16-12-19(9-10-20-16)11-13-5-7-18-8-6-13/h1-4,13,16,18H,5-12H2
InChIKeyYNDBHDMJPOEXBK-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine

2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine (PubChem CID 119930317) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
PubChem CID119930317
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
SMILESClc1ccc(C2CN(CC3CCNCC3)CCO2)cc1
InChIInChI=1S/C16H23ClN2O/c17-15-3-1-14(2-4-15)16-12-19(9-10-20-16)11-13-5-7-18-8-6-13/h1-4,13,16,18H,5-12H2
InChIKeyYNDBHDMJPOEXBK-UHFFFAOYSA-N
XLogP2.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119931332
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
CID 95564082
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
CID 119932561
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
(2R)-2-(4-chlorophenyl)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95555865
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
(2S)-2-(4-chlorophenyl)-4-(2-pyridin-2-ylethyl)morpholine
CID 95553285
2-cyclohexyl-4-(piperidin-4-ylmethyl)morpholine
CID 120852973
(2R)-2-(4-chlorophenyl)oxolane
CID 54328866

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine (CID 119930317) is 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine is Clc1ccc(C2CN(CC3CCNCC3)CCO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
The InChIKey is YNDBHDMJPOEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-15-3-1-14(2-4-15)16-12-19(9-10-20-16)11-13-5-7-18-8-6-13/h1-4,13,16,18H,5-12H2.
What are the key properties of 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine has a molecular weight of 294.83 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine is sourced from PubChem (CID 119930317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).