ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol

C18H38N4O2 — CID 171083722

IUPACethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
SMILESCC.OCC1(CN2CCN(COCCN3CCNCC3)CC2)CC1
InChIInChI=1S/C16H32N4O2.C2H6/c21-14-16(1-2-16)13-19-7-9-20(10-8-19)15-22-12-11-18-5-3-17-4-6-18;1-2/h17,21H,1-15H2;1-2H3
InChIKeyVMJZTBBUYAUGAI-UHFFFAOYSA-N
MW342.53 g/mol
LogP0.28
Rot. Bonds8

About ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol

ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol (PubChem CID 171083722) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Nameethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
PubChem CID171083722
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Nameethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
SMILESCC.OCC1(CN2CCN(COCCN3CCNCC3)CC2)CC1
InChIInChI=1S/C16H32N4O2.C2H6/c21-14-16(1-2-16)13-19-7-9-20(10-8-19)15-22-12-11-18-5-3-17-4-6-18;1-2/h17,21H,1-15H2;1-2H3
InChIKeyVMJZTBBUYAUGAI-UHFFFAOYSA-N
XLogP0.28
TPSA51.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-piperazin-1-ylethoxymethyl)piperazine
CID 167474718
[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
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[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
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ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
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CID 171656853
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
1-(2-fluoroethoxymethyl)piperazine
CID 144622418
ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene
CID 143311631
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226563
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The IUPAC name of ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol (CID 171083722) is ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol is CC.OCC1(CN2CCN(COCCN3CCNCC3)CC2)CC1.
What is the InChIKey of ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
The InChIKey is VMJZTBBUYAUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2.C2H6/c21-14-16(1-2-16)13-19-7-9-20(10-8-19)15-22-12-11-18-5-3-17-4-6-18;1-2/h17,21H,1-15H2;1-2H3.
What are the key properties of ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol?
ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol has a molecular weight of 342.53 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 171083722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).