2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile

C14H27N3 — CID 146652081

IUPAC2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile
SMILESCC(C)(C)N1CCN(C(C)(C)C)[C@H](CC#N)C1
InChIInChI=1S/C14H27N3/c1-13(2,3)16-9-10-17(14(4,5)6)12(11-16)7-8-15/h12H,7,9-11H2,1-6H3/t12-/m1/s1
InChIKeyNPUXOJFQQZMQRP-GFCCVEGCSA-N
MW237.39 g/mol
LogP2.48
Rot. Bonds1

About 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile

2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile (PubChem CID 146652081) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile
PubChem CID146652081
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile
SMILESCC(C)(C)N1CCN(C(C)(C)C)[C@H](CC#N)C1
InChIInChI=1S/C14H27N3/c1-13(2,3)16-9-10-17(14(4,5)6)12(11-16)7-8-15/h12H,7,9-11H2,1-6H3/t12-/m1/s1
InChIKeyNPUXOJFQQZMQRP-GFCCVEGCSA-N
XLogP2.48
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-tert-butyl-1-(3-methylbut-2-enoyl)piperazin-2-yl]acetonitrile
CID 155793920
2-[1-tert-butyl-4-(2-oxobut-3-enyl)piperazin-2-yl]acetonitrile
CID 167292044
1,4-ditert-butyl-2-methylpiperazine
CID 58993903
(2R)-4-tert-butyl-2-methylpiperazine-1-carbonitrile
CID 89081107
methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
CID 58311600
2-[1-(3,3-difluorobutyl)piperidin-2-yl]acetonitrile
CID 84681793
3-tert-butyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 134166341
2-[(1-tert-butylazetidin-3-yl)-methylamino]acetonitrile
CID 170255267
2-(1-acetyl-4-methylpiperazin-2-yl)acetonitrile
CID 167064980
4-tert-butyl-1-propan-2-yl-2-propylpiperazine;ethane
CID 155690234
(3S)-3-(cyanomethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 175829508
4-tert-butyl-1-ethyl-2-propan-2-ylpiperazine
CID 70790415

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile?
The IUPAC name of 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile (CID 146652081) is 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile is CC(C)(C)N1CCN(C(C)(C)C)[C@H](CC#N)C1.
What is the InChIKey of 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile?
The InChIKey is NPUXOJFQQZMQRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N3/c1-13(2,3)16-9-10-17(14(4,5)6)12(11-16)7-8-15/h12H,7,9-11H2,1-6H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile?
2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile has a molecular weight of 237.39 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,4-ditert-butylpiperazin-2-yl]acetonitrile is sourced from PubChem (CID 146652081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).