2-methylpropane;2-piperazin-2-ylacetonitrile

C10H21N3 — CID 162736664

IUPAC2-methylpropane;2-piperazin-2-ylacetonitrile
SMILESCC(C)C.N#CCC1CNCCN1
InChIInChI=1S/C6H11N3.C4H10/c7-2-1-6-5-8-3-4-9-6;1-4(2)3/h6,8-9H,1,3-5H2;4H,1-3H3
InChIKeyKCQFLVDGJKJDST-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.12
Rot. Bonds1

About 2-methylpropane;2-piperazin-2-ylacetonitrile

2-methylpropane;2-piperazin-2-ylacetonitrile (PubChem CID 162736664) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-methylpropane;2-piperazin-2-ylacetonitrile.

Molecular Properties

Compound Name2-methylpropane;2-piperazin-2-ylacetonitrile
PubChem CID162736664
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-methylpropane;2-piperazin-2-ylacetonitrile
SMILESCC(C)C.N#CCC1CNCCN1
InChIInChI=1S/C6H11N3.C4H10/c7-2-1-6-5-8-3-4-9-6;1-4(2)3/h6,8-9H,1,3-5H2;4H,1-3H3
InChIKeyKCQFLVDGJKJDST-UHFFFAOYSA-N
XLogP1.12
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-piperazin-2-ylpropan-2-ol
CID 69210307
(2S)-1-piperazin-2-ylpropan-2-ol;dihydrochloride
CID 175885575
2-(2-methoxypropyl)piperazine
CID 53405896
2-(1-propan-2-yl-1,4-diazepan-5-yl)acetonitrile
CID 177038211
2-pyrrolidin-2-ylacetonitrile
CID 12896132
2-(methylsulfanylmethyl)piperazine
CID 55253252
2-(2,2-difluoroethyl)piperazine
CID 91803153
[(2S)-1,4,7,10-tetrazacyclododec-2-yl]methanamine
CID 129386497
(2R)-2-butylpiperazine
CID 11182666
(2R)-2-(methoxymethyl)piperazine;dihydrochloride
CID 146013224
2-(methoxymethyl)piperazine;dihydrochloride
CID 66941255
2-[(4S)-4-methylpyrrolidin-2-yl]acetonitrile
CID 170704101

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-piperazin-2-ylacetonitrile?
The IUPAC name of 2-methylpropane;2-piperazin-2-ylacetonitrile (CID 162736664) is 2-methylpropane;2-piperazin-2-ylacetonitrile.
What is the SMILES notation for 2-methylpropane;2-piperazin-2-ylacetonitrile?
The canonical SMILES for 2-methylpropane;2-piperazin-2-ylacetonitrile is CC(C)C.N#CCC1CNCCN1.
What is the InChIKey of 2-methylpropane;2-piperazin-2-ylacetonitrile?
The InChIKey is KCQFLVDGJKJDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.C4H10/c7-2-1-6-5-8-3-4-9-6;1-4(2)3/h6,8-9H,1,3-5H2;4H,1-3H3.
What are the key properties of 2-methylpropane;2-piperazin-2-ylacetonitrile?
2-methylpropane;2-piperazin-2-ylacetonitrile has a molecular weight of 183.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-piperazin-2-ylacetonitrile is sourced from PubChem (CID 162736664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).