[1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol

C17H34N4O2 — CID 155019674

IUPAC[1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol
SMILESCN1CCN(C)[C@@H](COCCN2CCN(C3(CO)CC3)CC2)C1
InChIInChI=1S/C17H34N4O2/c1-18-5-6-19(2)16(13-18)14-23-12-11-20-7-9-21(10-8-20)17(15-22)3-4-17/h16,22H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyXXHRSZHUPPOYBJ-MRXNPFEDSA-N
MW326.49 g/mol
LogP-0.61
Rot. Bonds7

About [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol

[1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol (PubChem CID 155019674) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol
PubChem CID155019674
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name[1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol
SMILESCN1CCN(C)[C@@H](COCCN2CCN(C3(CO)CC3)CC2)C1
InChIInChI=1S/C17H34N4O2/c1-18-5-6-19(2)16(13-18)14-23-12-11-20-7-9-21(10-8-20)17(15-22)3-4-17/h16,22H,3-15H2,1-2H3/t16-/m1/s1
InChIKeyXXHRSZHUPPOYBJ-MRXNPFEDSA-N
XLogP-0.61
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol (CID 155019674) is [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol is CN1CCN(C)[C@@H](COCCN2CCN(C3(CO)CC3)CC2)C1.
What is the InChIKey of [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol?
The InChIKey is XXHRSZHUPPOYBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-18-5-6-19(2)16(13-18)14-23-12-11-20-7-9-21(10-8-20)17(15-22)3-4-17/h16,22H,3-15H2,1-2H3/t16-/m1/s1.
What are the key properties of [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol?
[1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol has a molecular weight of 326.49 g/mol, XLogP of -0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-[[(2R)-1,4-dimethylpiperazin-2-yl]methoxy]ethyl]piperazin-1-yl]cyclopropyl]methanol is sourced from PubChem (CID 155019674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).