(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine

C19H29ClN2O2 — CID 95564082

IUPAC(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
SMILESCOCCN1CCC(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H29ClN2O2/c1-23-12-10-21-8-6-16(7-9-21)14-22-11-13-24-19(15-22)17-2-4-18(20)5-3-17/h2-5,16,19H,6-15H2,1H3/t19-/m1/s1
InChIKeyWAVDYMKYZBBCGB-LJQANCHMSA-N
MW352.91 g/mol
LogP3.07
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine

(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine (PubChem CID 95564082) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
PubChem CID95564082
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine
SMILESCOCCN1CCC(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C19H29ClN2O2/c1-23-12-10-21-8-6-16(7-9-21)14-22-11-13-24-19(15-22)17-2-4-18(20)5-3-17/h2-5,16,19H,6-15H2,1H3/t19-/m1/s1
InChIKeyWAVDYMKYZBBCGB-LJQANCHMSA-N
XLogP3.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine with MolForge

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Related Compounds

[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 95211388
2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119930317
(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
CID 95550441
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
CID 92969335
2-(3,4-dichlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119931332
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine?
The IUPAC name of (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine (CID 95564082) is (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine is COCCN1CCC(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine?
The InChIKey is WAVDYMKYZBBCGB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-23-12-10-21-8-6-16(7-9-21)14-22-11-13-24-19(15-22)17-2-4-18(20)5-3-17/h2-5,16,19H,6-15H2,1H3/t19-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine?
(2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine has a molecular weight of 352.91 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 95564082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).