ethane;2-(4-methylpiperidin-4-yl)acetonitrile

C10H20N2 — CID 144903240

IUPACethane;2-(4-methylpiperidin-4-yl)acetonitrile
SMILESCC.CC1(CC#N)CCNCC1
InChIInChI=1S/C8H14N2.C2H6/c1-8(2-5-9)3-6-10-7-4-8;1-2/h10H,2-4,6-7H2,1H3;1-2H3
InChIKeyFFBBOSKLFREXDT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.32
Rot. Bonds1

About ethane;2-(4-methylpiperidin-4-yl)acetonitrile

ethane;2-(4-methylpiperidin-4-yl)acetonitrile (PubChem CID 144903240) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;2-(4-methylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Nameethane;2-(4-methylpiperidin-4-yl)acetonitrile
PubChem CID144903240
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;2-(4-methylpiperidin-4-yl)acetonitrile
SMILESCC.CC1(CC#N)CCNCC1
InChIInChI=1S/C8H14N2.C2H6/c1-8(2-5-9)3-6-10-7-4-8;1-2/h10H,2-4,6-7H2,1H3;1-2H3
InChIKeyFFBBOSKLFREXDT-UHFFFAOYSA-N
XLogP2.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl formate;2-(4-methylpiperidin-4-yl)acetonitrile
CID 158247300
2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
CID 175981962
(4-methylpiperidin-4-yl)methanol
CID 22507737
2-(3-aminopyrrolidin-3-yl)acetonitrile
CID 83681717
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
ethane;4-fluoro-4-methylpiperidine
CID 142139578
4-ethyl-4-methylazepane
CID 55299291
ethane;3-(fluoromethyl)-3-methylpyrrolidine
CID 178041858
2-(4-methylpiperidin-4-yl)acetaldehyde
CID 59311929
ethane;(3S)-3-methylpyrrolidine-3-carbonitrile
CID 172607347
2-methyl-N-[(4-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)propan-1-amine
CID 63122710
dimethyl 3-(cyanomethyl)-3-methylcyclopentane-1,1-dicarboxylate
CID 11436379

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylpiperidin-4-yl)acetonitrile?
The IUPAC name of ethane;2-(4-methylpiperidin-4-yl)acetonitrile (CID 144903240) is ethane;2-(4-methylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for ethane;2-(4-methylpiperidin-4-yl)acetonitrile?
The canonical SMILES for ethane;2-(4-methylpiperidin-4-yl)acetonitrile is CC.CC1(CC#N)CCNCC1.
What is the InChIKey of ethane;2-(4-methylpiperidin-4-yl)acetonitrile?
The InChIKey is FFBBOSKLFREXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-8(2-5-9)3-6-10-7-4-8;1-2/h10H,2-4,6-7H2,1H3;1-2H3.
What are the key properties of ethane;2-(4-methylpiperidin-4-yl)acetonitrile?
ethane;2-(4-methylpiperidin-4-yl)acetonitrile has a molecular weight of 168.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 144903240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).