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

C15H30N4O — CID 141468066

IUPAC(2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCN(C3CCNCC3)CC2)O1
InChIInChI=1S/C15H30N4O/c1-13-10-17-11-15(20-13)12-18-6-8-19(9-7-18)14-2-4-16-5-3-14/h13-17H,2-12H2,1H3/t13-,15+/m1/s1
InChIKeyMJJRRVZJCMRHQJ-HIFRSBDPSA-N
MW282.43 g/mol
LogP-0.27
Rot. Bonds3

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

(2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine (PubChem CID 141468066) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine
PubChem CID141468066
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name(2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCN(C3CCNCC3)CC2)O1
InChIInChI=1S/C15H30N4O/c1-13-10-17-11-15(20-13)12-18-6-8-19(9-7-18)14-2-4-16-5-3-14/h13-17H,2-12H2,1H3/t13-,15+/m1/s1
InChIKeyMJJRRVZJCMRHQJ-HIFRSBDPSA-N
XLogP-0.27
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine?
The IUPAC name of (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine (CID 141468066) is (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine.
What is the SMILES notation for (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine?
The canonical SMILES for (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine is C[C@@H]1CNC[C@@H](CN2CCN(C3CCNCC3)CC2)O1.
What is the InChIKey of (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine?
The InChIKey is MJJRRVZJCMRHQJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13-10-17-11-15(20-13)12-18-6-8-19(9-7-18)14-2-4-16-5-3-14/h13-17H,2-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine?
(2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine has a molecular weight of 282.43 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-[(4-piperidin-4-ylpiperazin-1-yl)methyl]morpholine is sourced from PubChem (CID 141468066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).