2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile

C11H20N2O — CID 117003584

IUPAC2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
SMILESCOCCCN1CCC(CC#N)CC1
InChIInChI=1S/C11H20N2O/c1-14-10-2-7-13-8-4-11(3-6-12)5-9-13/h11H,2-5,7-10H2,1H3
InChIKeyOPOOOFNIZCSLKB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.65
Rot. Bonds5

About 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile

2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile (PubChem CID 117003584) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
PubChem CID117003584
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
SMILESCOCCCN1CCC(CC#N)CC1
InChIInChI=1S/C11H20N2O/c1-14-10-2-7-13-8-4-11(3-6-12)5-9-13/h11H,2-5,7-10H2,1H3
InChIKeyOPOOOFNIZCSLKB-UHFFFAOYSA-N
XLogP1.65
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetonitrile
CID 117024724
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
2-[[1-(3-methoxypropyl)pyrrolidin-3-yl]-methylamino]acetonitrile
CID 117004563
[1-(3-methoxypropyl)piperidin-4-yl] hypoiodite
CID 156546516
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
2-[1-(2-methoxyethyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020474
4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 175626941
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolidine-3-carbonitrile
CID 117005960
2-(1-ethylazepan-4-yl)acetonitrile
CID 83914417

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile (CID 117003584) is 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile is COCCCN1CCC(CC#N)CC1.
What is the InChIKey of 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile?
The InChIKey is OPOOOFNIZCSLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-14-10-2-7-13-8-4-11(3-6-12)5-9-13/h11H,2-5,7-10H2,1H3.
What are the key properties of 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile?
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile has a molecular weight of 196.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 117003584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).