2-(piperidin-4-ylamino)acetonitrile

C7H13N3 — CID 166940241

IUPAC2-(piperidin-4-ylamino)acetonitrile
SMILESN#CCNC1CCNCC1
InChIInChI=1S/C7H13N3/c8-3-6-10-7-1-4-9-5-2-7/h7,9-10H,1-2,4-6H2
InChIKeyJOCNEARKBWHXJJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.15
Rot. Bonds2

About 2-(piperidin-4-ylamino)acetonitrile

2-(piperidin-4-ylamino)acetonitrile (PubChem CID 166940241) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)acetonitrile
PubChem CID166940241
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(piperidin-4-ylamino)acetonitrile
SMILESN#CCNC1CCNCC1
InChIInChI=1S/C7H13N3/c8-3-6-10-7-1-4-9-5-2-7/h7,9-10H,1-2,4-6H2
InChIKeyJOCNEARKBWHXJJ-UHFFFAOYSA-N
XLogP-0.15
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sugemalimab
CID 13444038
2-Piperidineethanamine
CID 27568
N,N-Dimethylpiperidin-4-amine
CID 417391
4-Piperidinamine
CID 424361
1-Methyl-4-(methylamino)piperidine
CID 566323
4-Amino-1-methylpiperidine
CID 2737531
2-Cyanopiperidine
CID 155138
N-(Propan-2-yl)piperidin-4-amine
CID 22394351
Piperidin-3-amine
CID 148119
(3R)-piperidin-3-amine
CID 667606
(3R,5S)-Piperidine-3,5-diamine
CID 11171447
N-pentylpiperidin-4-amine
CID 44592820

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)acetonitrile?
The IUPAC name of 2-(piperidin-4-ylamino)acetonitrile (CID 166940241) is 2-(piperidin-4-ylamino)acetonitrile.
What is the SMILES notation for 2-(piperidin-4-ylamino)acetonitrile?
The canonical SMILES for 2-(piperidin-4-ylamino)acetonitrile is N#CCNC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylamino)acetonitrile?
The InChIKey is JOCNEARKBWHXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c8-3-6-10-7-1-4-9-5-2-7/h7,9-10H,1-2,4-6H2.
What are the key properties of 2-(piperidin-4-ylamino)acetonitrile?
2-(piperidin-4-ylamino)acetonitrile has a molecular weight of 139.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)acetonitrile is sourced from PubChem (CID 166940241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).