N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine

C22H44N4O2 — CID 171831363

IUPACN-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine
SMILESCNC1CCN(C(C)CN2CCO[C@@H](CCN3CCO[C@H](C(C)C)C3)C2)CC1
InChIInChI=1S/C22H44N4O2/c1-18(2)22-17-24(11-14-28-22)8-7-21-16-25(12-13-27-21)15-19(3)26-9-5-20(23-4)6-10-26/h18-23H,5-17H2,1-4H3/t19?,21-,22-/m0/s1
InChIKeyRTCWPMFICBYLLE-GFUWAVFVSA-N
MW396.62 g/mol
LogP1.51
Rot. Bonds8

About N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine

N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine (PubChem CID 171831363) has the molecular formula C22H44N4O2 and a molecular weight of 396.62 g/mol. Its IUPAC name is N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine
PubChem CID171831363
Molecular FormulaC22H44N4O2
Molecular Weight396.62 g/mol
Exact Mass396.35
IUPAC NameN-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine
SMILESCNC1CCN(C(C)CN2CCO[C@@H](CCN3CCO[C@H](C(C)C)C3)C2)CC1
InChIInChI=1S/C22H44N4O2/c1-18(2)22-17-24(11-14-28-22)8-7-21-16-25(12-13-27-21)15-19(3)26-9-5-20(23-4)6-10-26/h18-23H,5-17H2,1-4H3/t19?,21-,22-/m0/s1
InChIKeyRTCWPMFICBYLLE-GFUWAVFVSA-N
XLogP1.51
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine (CID 171831363) is N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine is CNC1CCN(C(C)CN2CCO[C@@H](CCN3CCO[C@H](C(C)C)C3)C2)CC1.
What is the InChIKey of N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine?
The InChIKey is RTCWPMFICBYLLE-GFUWAVFVSA-N. The full InChI is InChI=1S/C22H44N4O2/c1-18(2)22-17-24(11-14-28-22)8-7-21-16-25(12-13-27-21)15-19(3)26-9-5-20(23-4)6-10-26/h18-23H,5-17H2,1-4H3/t19?,21-,22-/m0/s1.
What are the key properties of N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine?
N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine has a molecular weight of 396.62 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2S)-2-[2-[(2R)-2-propan-2-ylmorpholin-4-yl]ethyl]morpholin-4-yl]propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 171831363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).