3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride

C8H17Cl2N3 — CID 3050145

IUPAC3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride
SMILESCN1CCN(CCC#N)CC1.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2,4-8H2,1H3;2*1H
InChIKeyYCTPSERSLGHZGU-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.99
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride

3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride (PubChem CID 3050145) has the molecular formula C8H17Cl2N3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride
PubChem CID3050145
Molecular FormulaC8H17Cl2N3
Molecular Weight226.15 g/mol
Exact Mass225.08
IUPAC Name3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride
SMILESCN1CCN(CCC#N)CC1.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2,4-8H2,1H3;2*1H
InChIKeyYCTPSERSLGHZGU-UHFFFAOYSA-N
XLogP0.99
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetonitrile
CID 82892605
3-[4-(2-methoxyethyl)piperazin-1-yl]propanenitrile
CID 94254427
5-(4-methyl-1,4-diazepan-1-yl)pentanenitrile
CID 60688742
1-but-3-ynyl-4-methylpiperazine
CID 11593463
3-(1,1-dioxo-1,4-thiazinan-4-yl)propanenitrile
CID 24728598
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-methyl-4-pent-3-ynylpiperazine
CID 126973229
3-(4-oxopiperidin-1-yl)propanenitrile;hydrochloride
CID 166451430
3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile
CID 15074371
copper;3-[8-(2-cyanoethyl)-4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl]propanamide;diperchlorate
CID 139148818
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
3-(4-hydroxy-4-methylpiperidin-1-yl)propanenitrile
CID 115825972

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride?
The IUPAC name of 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride (CID 3050145) is 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride is CN1CCN(CCC#N)CC1.Cl.Cl.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride?
The InChIKey is YCTPSERSLGHZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.2ClH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2,4-8H2,1H3;2*1H.
What are the key properties of 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride?
3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride has a molecular weight of 226.15 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)propanenitrile;dihydrochloride is sourced from PubChem (CID 3050145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).