5-piperidin-4-ylpentanenitrile;hydrochloride

C10H19ClN2 — CID 155294565

IUPAC5-piperidin-4-ylpentanenitrile;hydrochloride
SMILESCl.N#CCCCCC1CCNCC1
InChIInChI=1S/C10H18N2.ClH/c11-7-3-1-2-4-10-5-8-12-9-6-10;/h10,12H,1-6,8-9H2;1H
InChIKeyUQGOXYHSBYAEHV-UHFFFAOYSA-N
MW202.73 g/mol
LogP2.49
Rot. Bonds4

About 5-piperidin-4-ylpentanenitrile;hydrochloride

5-piperidin-4-ylpentanenitrile;hydrochloride (PubChem CID 155294565) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 5-piperidin-4-ylpentanenitrile;hydrochloride.

Molecular Properties

Compound Name5-piperidin-4-ylpentanenitrile;hydrochloride
PubChem CID155294565
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name5-piperidin-4-ylpentanenitrile;hydrochloride
SMILESCl.N#CCCCCC1CCNCC1
InChIInChI=1S/C10H18N2.ClH/c11-7-3-1-2-4-10-5-8-12-9-6-10;/h10,12H,1-6,8-9H2;1H
InChIKeyUQGOXYHSBYAEHV-UHFFFAOYSA-N
XLogP2.49
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
3-pyrrolidin-3-ylpropanenitrile
CID 83669079
5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile
CID 18611515
4-hexadecylpiperidine
CID 54096875
5-piperidin-4-ylpentan-1-ol
CID 20528701
4-heptylpiperidine;methane
CID 144690559
4-butylpiperidine;formonitrile
CID 142168007
5-pyrrolidin-2-ylpentanenitrile
CID 174696623
4-pent-4-ynylazepane
CID 130770981
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975
3-cyclopropylpropanenitrile
CID 12768628
11-cyclohex-3-en-1-ylundecanenitrile
CID 11436571

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-ylpentanenitrile;hydrochloride?
The IUPAC name of 5-piperidin-4-ylpentanenitrile;hydrochloride (CID 155294565) is 5-piperidin-4-ylpentanenitrile;hydrochloride.
What is the SMILES notation for 5-piperidin-4-ylpentanenitrile;hydrochloride?
The canonical SMILES for 5-piperidin-4-ylpentanenitrile;hydrochloride is Cl.N#CCCCCC1CCNCC1.
What is the InChIKey of 5-piperidin-4-ylpentanenitrile;hydrochloride?
The InChIKey is UQGOXYHSBYAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.ClH/c11-7-3-1-2-4-10-5-8-12-9-6-10;/h10,12H,1-6,8-9H2;1H.
What are the key properties of 5-piperidin-4-ylpentanenitrile;hydrochloride?
5-piperidin-4-ylpentanenitrile;hydrochloride has a molecular weight of 202.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-ylpentanenitrile;hydrochloride is sourced from PubChem (CID 155294565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).