2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine

C16H22Cl2N2O — CID 119931332

IUPAC2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
SMILESClc1ccc(C2CN(CC3CCNCC3)CCO2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c17-14-2-1-13(9-15(14)18)16-11-20(7-8-21-16)10-12-3-5-19-6-4-12/h1-2,9,12,16,19H,3-8,10-11H2
InChIKeyKQGXRXDKUFYWJH-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.37
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine

2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine (PubChem CID 119931332) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
PubChem CID119931332
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
SMILESClc1ccc(C2CN(CC3CCNCC3)CCO2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c17-14-2-1-13(9-15(14)18)16-11-20(7-8-21-16)10-12-3-5-19-6-4-12/h1-2,9,12,16,19H,3-8,10-11H2
InChIKeyKQGXRXDKUFYWJH-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119930317
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
carbon dioxide;(7R)-7-(3,4-dichlorophenyl)-1,4-oxazepane
CID 162000870
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 95558901
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine (CID 119931332) is 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine is Clc1ccc(C2CN(CC3CCNCC3)CCO2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
The InChIKey is KQGXRXDKUFYWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-14-2-1-13(9-15(14)18)16-11-20(7-8-21-16)10-12-3-5-19-6-4-12/h1-2,9,12,16,19H,3-8,10-11H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine?
2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine has a molecular weight of 329.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine is sourced from PubChem (CID 119931332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).