ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone

C14H29N3O2 — CID 166117568

IUPACethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC.CNCC1OCCC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H23N3O2.C2H6/c1-13-9-11-10(3-8-17-11)12(16)15-6-4-14(2)5-7-15;1-2/h10-11,13H,3-9H2,1-2H3;1-2H3
InChIKeyHNXMVRJSFISMSM-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.41
Rot. Bonds3

About ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone

ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 166117568) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID166117568
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nameethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC.CNCC1OCCC1C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H23N3O2.C2H6/c1-13-9-11-10(3-8-17-11)12(16)15-6-4-14(2)5-7-15;1-2/h10-11,13H,3-9H2,1-2H3;1-2H3
InChIKeyHNXMVRJSFISMSM-UHFFFAOYSA-N
XLogP0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 166117568) is ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone is CC.CNCC1OCCC1C(=O)N1CCN(C)CC1.
What is the InChIKey of ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HNXMVRJSFISMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.C2H6/c1-13-9-11-10(3-8-17-11)12(16)15-6-4-14(2)5-7-15;1-2/h10-11,13H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone?
ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 271.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-(methylaminomethyl)oxolan-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 166117568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).