(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine

C16H32N4O — CID 141468154

IUPAC(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC(N3CCN(C)CC3)CC2)O1
InChIInChI=1S/C16H32N4O/c1-14-11-17-12-16(21-14)13-19-5-3-15(4-6-19)20-9-7-18(2)8-10-20/h14-17H,3-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyOXMMEGYTLQMLLN-ZBFHGGJFSA-N
MW296.46 g/mol
LogP0.08
Rot. Bonds3

About (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine

(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine (PubChem CID 141468154) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine
PubChem CID141468154
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC(N3CCN(C)CC3)CC2)O1
InChIInChI=1S/C16H32N4O/c1-14-11-17-12-16(21-14)13-19-5-3-15(4-6-19)20-9-7-18(2)8-10-20/h14-17H,3-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyOXMMEGYTLQMLLN-ZBFHGGJFSA-N
XLogP0.08
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine
CID 795717
4-Morpholineethanamine, N-methyl-N-4-piperidinyl-
CID 25220733
2-Methyl-4-(piperidin-4-yl)morpholine
CID 24701981
5-Fluoro-4-(4-morpholin-4-ylpiperidin-1-yl)piperidin-3-amine
CID 124022758
5-Fluoro-1-hexyl-4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)piperidin-3-amine
CID 138645806
5-Fluoro-4-(4-morpholin-4-ylpiperidin-1-yl)-1-pentylpiperidin-3-amine
CID 156302535
Propylpiperazinyl-ethyl ether
CID 129817227
(2S,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine
CID 795720
2,6-Dimethyl-4-(piperidin-4-yl)morpholine
CID 3151125
1,5-Bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine
CID 19989284
1,5-Bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
CID 19989288
(2S)-2-methyl-4-piperidin-4-ylmorpholine
CID 28198157

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine?
The IUPAC name of (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine (CID 141468154) is (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine.
What is the SMILES notation for (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine?
The canonical SMILES for (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine is C[C@@H]1CNC[C@@H](CN2CCC(N3CCN(C)CC3)CC2)O1.
What is the InChIKey of (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine?
The InChIKey is OXMMEGYTLQMLLN-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H32N4O/c1-14-11-17-12-16(21-14)13-19-5-3-15(4-6-19)20-9-7-18(2)8-10-20/h14-17H,3-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine?
(2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine has a molecular weight of 296.46 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]morpholine is sourced from PubChem (CID 141468154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).