4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine

C19H38N4O — CID 171359040

IUPAC4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine
SMILESCN1CCN(C[C@H]2CCCN(CC(C)(C)N3CCOCC3)C2)CC1
InChIInChI=1S/C19H38N4O/c1-19(2,23-11-13-24-14-12-23)17-22-6-4-5-18(16-22)15-21-9-7-20(3)8-10-21/h18H,4-17H2,1-3H3/t18-/m1/s1
InChIKeyUDVARLPLKSFURN-GOSISDBHSA-N
MW338.54 g/mol
LogP1.06
Rot. Bonds5

About 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine

4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine (PubChem CID 171359040) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine
PubChem CID171359040
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine
SMILESCN1CCN(C[C@H]2CCCN(CC(C)(C)N3CCOCC3)C2)CC1
InChIInChI=1S/C19H38N4O/c1-19(2,23-11-13-24-14-12-23)17-22-6-4-5-18(16-22)15-21-9-7-20(3)8-10-21/h18H,4-17H2,1-3H3/t18-/m1/s1
InChIKeyUDVARLPLKSFURN-GOSISDBHSA-N
XLogP1.06
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine (CID 171359040) is 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine is CN1CCN(C[C@H]2CCCN(CC(C)(C)N3CCOCC3)C2)CC1.
What is the InChIKey of 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine?
The InChIKey is UDVARLPLKSFURN-GOSISDBHSA-N. The full InChI is InChI=1S/C19H38N4O/c1-19(2,23-11-13-24-14-12-23)17-22-6-4-5-18(16-22)15-21-9-7-20(3)8-10-21/h18H,4-17H2,1-3H3/t18-/m1/s1.
What are the key properties of 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine?
4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine has a molecular weight of 338.54 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[(3R)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-yl]morpholine is sourced from PubChem (CID 171359040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).