2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile

C14H25N3 — CID 65496982

IUPAC2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCCC1CN(CC2(CC#N)CC2)C(CC)CN1
InChIInChI=1S/C14H25N3/c1-3-12-10-17(13(4-2)9-16-12)11-14(5-6-14)7-8-15/h12-13,16H,3-7,9-11H2,1-2H3
InChIKeyZCMGUWWOOIICFE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds5

About 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65496982) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65496982
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCCC1CN(CC2(CC#N)CC2)C(CC)CN1
InChIInChI=1S/C14H25N3/c1-3-12-10-17(13(4-2)9-16-12)11-14(5-6-14)7-8-15/h12-13,16H,3-7,9-11H2,1-2H3
InChIKeyZCMGUWWOOIICFE-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile (CID 65496982) is 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile is CCC1CN(CC2(CC#N)CC2)C(CC)CN1.
What is the InChIKey of 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is ZCMGUWWOOIICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-12-10-17(13(4-2)9-16-12)11-14(5-6-14)7-8-15/h12-13,16H,3-7,9-11H2,1-2H3.
What are the key properties of 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-diethylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).