4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine

C16H27F2N5O — CID 97128566

IUPAC4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine
SMILESC[C@@H](CN1CCOCC1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H27F2N5O/c1-14(12-21-8-10-24-11-9-21)22-6-4-20(5-7-22)13-15-19-2-3-23(15)16(17)18/h2-3,14,16H,4-13H2,1H3/t14-/m0/s1
InChIKeyNVNZBCNVVASWBU-AWEZNQCLSA-N
MW343.42 g/mol
LogP1.12
Rot. Bonds6

About 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine

4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine (PubChem CID 97128566) has the molecular formula C16H27F2N5O and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine
PubChem CID97128566
Molecular FormulaC16H27F2N5O
Molecular Weight343.42 g/mol
Exact Mass343.22
IUPAC Name4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine
SMILESC[C@@H](CN1CCOCC1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C16H27F2N5O/c1-14(12-21-8-10-24-11-9-21)22-6-4-20(5-7-22)13-15-19-2-3-23(15)16(17)18/h2-3,14,16H,4-13H2,1H3/t14-/m0/s1
InChIKeyNVNZBCNVVASWBU-AWEZNQCLSA-N
XLogP1.12
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine?
The IUPAC name of 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine (CID 97128566) is 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine?
The canonical SMILES for 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine is C[C@@H](CN1CCOCC1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine?
The InChIKey is NVNZBCNVVASWBU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27F2N5O/c1-14(12-21-8-10-24-11-9-21)22-6-4-20(5-7-22)13-15-19-2-3-23(15)16(17)18/h2-3,14,16H,4-13H2,1H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine?
4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine has a molecular weight of 343.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propyl]morpholine is sourced from PubChem (CID 97128566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).