2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile

C14H25N3 — CID 65422481

IUPAC2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C14H25N3/c1-12-4-5-14(11-15,13(2)10-12)17-8-6-16(3)7-9-17/h12-13H,4-10H2,1-3H3
InChIKeyBONZQDYMKMCVKV-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.95
Rot. Bonds1

About 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile

2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 65422481) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile
PubChem CID65422481
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)(N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C14H25N3/c1-12-4-5-14(11-15,13(2)10-12)17-8-6-16(3)7-9-17/h12-13H,4-10H2,1-3H3
InChIKeyBONZQDYMKMCVKV-UHFFFAOYSA-N
XLogP1.95
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile (CID 65422481) is 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile is CC1CCC(C#N)(N2CCN(C)CC2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is BONZQDYMKMCVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-4-5-14(11-15,13(2)10-12)17-8-6-16(3)7-9-17/h12-13H,4-10H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile?
2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 235.37 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 65422481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).