(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine

C17H25ClN2O — CID 126642076

IUPAC(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine
SMILESC[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H25ClN2O/c1-13-11-20(16-6-8-19-9-7-16)17(12-21-13)10-14-2-4-15(18)5-3-14/h2-5,13,16-17,19H,6-12H2,1H3/t13-,17-/m0/s1
InChIKeyPTYMSAUMKSBPGL-GUYCJALGSA-N
MW308.85 g/mol
LogP2.72
Rot. Bonds3

About (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine

(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine (PubChem CID 126642076) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine.

Molecular Properties

Compound Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine
PubChem CID126642076
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine
SMILESC[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H25ClN2O/c1-13-11-20(16-6-8-19-9-7-16)17(12-21-13)10-14-2-4-15(18)5-3-14/h2-5,13,16-17,19H,6-12H2,1H3/t13-,17-/m0/s1
InChIKeyPTYMSAUMKSBPGL-GUYCJALGSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-3-methylmorpholine
CID 215992
4-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 72020766
US20230278996, Example 8d.
CID 126641893
N-[2-(3-chlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2853463
(2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholine
CID 95447087
(4-Chlorophenyl)(4-methylmorpholin-2-yl)methanamine
CID 71683229
2-(2-chlorophenyl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95303566
(2R)-2-(4-chlorophenyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine
CID 95468961
4-[[[(2S)-1-(4-chlorophenyl)propan-2-yl]amino]methyl]-N,N-dimethyloxan-4-amine
CID 97113639
3-(4-Chlorophenyl)morpholine
CID 5193659
(R)-(4-chloro-3-fluorophenyl)-[(2R)-morpholin-2-yl]methanamine
CID 118021129
(4-Chloro-3-fluorophenyl)-morpholin-2-ylmethanamine
CID 118021159

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine?
The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine (CID 126642076) is (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine.
What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine?
The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine is C[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine?
The InChIKey is PTYMSAUMKSBPGL-GUYCJALGSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13-11-20(16-6-8-19-9-7-16)17(12-21-13)10-14-2-4-15(18)5-3-14/h2-5,13,16-17,19H,6-12H2,1H3/t13-,17-/m0/s1.
What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine?
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine has a molecular weight of 308.85 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-2-methyl-4-piperidin-4-ylmorpholine is sourced from PubChem (CID 126642076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).