7-(2-methylpiperazin-1-yl)heptanenitrile

C12H23N3 — CID 50999683

IUPAC7-(2-methylpiperazin-1-yl)heptanenitrile
SMILESCC1CNCCN1CCCCCCC#N
InChIInChI=1S/C12H23N3/c1-12-11-14-8-10-15(12)9-6-4-2-3-5-7-13/h12,14H,2-6,8-11H2,1H3
InChIKeyMAVOZJJJGVNXOK-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.75
Rot. Bonds6

About 7-(2-methylpiperazin-1-yl)heptanenitrile

7-(2-methylpiperazin-1-yl)heptanenitrile (PubChem CID 50999683) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 7-(2-methylpiperazin-1-yl)heptanenitrile.

Molecular Properties

Compound Name7-(2-methylpiperazin-1-yl)heptanenitrile
PubChem CID50999683
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name7-(2-methylpiperazin-1-yl)heptanenitrile
SMILESCC1CNCCN1CCCCCCC#N
InChIInChI=1S/C12H23N3/c1-12-11-14-8-10-15(12)9-6-4-2-3-5-7-13/h12,14H,2-6,8-11H2,1H3
InChIKeyMAVOZJJJGVNXOK-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-dodecyl-2-methylpiperazine
CID 82761023
methanol;2-methyl-1-nonylpiperazine
CID 144711987
2-methyl-1-(4-methylpentyl)piperazine
CID 64931123
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
2-methyl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008832
2,2-dimethyl-4-(2-methylpiperazin-1-yl)butanenitrile
CID 65250987
(2S)-2-methyl-1-pent-3-ynylpiperazine
CID 104809127
(2S)-2-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 82756199
1-(3-methoxypropyl)-2-methylpiperazine
CID 62674205
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
1-[3-(2-methoxyethoxy)propyl]-2-methylpiperazine
CID 103410154
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpiperazin-1-yl)heptanenitrile?
The IUPAC name of 7-(2-methylpiperazin-1-yl)heptanenitrile (CID 50999683) is 7-(2-methylpiperazin-1-yl)heptanenitrile.
What is the SMILES notation for 7-(2-methylpiperazin-1-yl)heptanenitrile?
The canonical SMILES for 7-(2-methylpiperazin-1-yl)heptanenitrile is CC1CNCCN1CCCCCCC#N.
What is the InChIKey of 7-(2-methylpiperazin-1-yl)heptanenitrile?
The InChIKey is MAVOZJJJGVNXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12-11-14-8-10-15(12)9-6-4-2-3-5-7-13/h12,14H,2-6,8-11H2,1H3.
What are the key properties of 7-(2-methylpiperazin-1-yl)heptanenitrile?
7-(2-methylpiperazin-1-yl)heptanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpiperazin-1-yl)heptanenitrile is sourced from PubChem (CID 50999683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).