2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine

C18H27ClN2O — CID 119931655

IUPAC2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine
SMILESCC1(C)COC(c2ccccc2Cl)CN1CC1CCCNC1
InChIInChI=1S/C18H27ClN2O/c1-18(2)13-22-17(15-7-3-4-8-16(15)19)12-21(18)11-14-6-5-9-20-10-14/h3-4,7-8,14,17,20H,5-6,9-13H2,1-2H3
InChIKeyPRELKJGZNURRAS-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine

2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine (PubChem CID 119931655) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine
PubChem CID119931655
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine
SMILESCC1(C)COC(c2ccccc2Cl)CN1CC1CCCNC1
InChIInChI=1S/C18H27ClN2O/c1-18(2)13-22-17(15-7-3-4-8-16(15)19)12-21(18)11-14-6-5-9-20-10-14/h3-4,7-8,14,17,20H,5-6,9-13H2,1-2H3
InChIKeyPRELKJGZNURRAS-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 164631168
5-[[2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120903354
(2S)-2-(2-chlorophenyl)-5,5-dimethyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl]morpholine
CID 97158511
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119318503
(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholine
CID 42183147
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
CID 56898536
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
[(2R)-2-(2-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
CID 129345431
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
5-(2-chlorophenyl)-2-piperidin-3-yl-4,5-dihydro-1,3-oxazole
CID 115061354

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine?
The IUPAC name of 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine (CID 119931655) is 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine.
What is the SMILES notation for 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine?
The canonical SMILES for 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine is CC1(C)COC(c2ccccc2Cl)CN1CC1CCCNC1.
What is the InChIKey of 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine?
The InChIKey is PRELKJGZNURRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-18(2)13-22-17(15-7-3-4-8-16(15)19)12-21(18)11-14-6-5-9-20-10-14/h3-4,7-8,14,17,20H,5-6,9-13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine?
2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine has a molecular weight of 322.88 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5,5-dimethyl-4-(piperidin-3-ylmethyl)morpholine is sourced from PubChem (CID 119931655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).