4-(propan-2-ylamino)piperidine-4-carbonitrile

C9H17N3 — CID 61244098

IUPAC4-(propan-2-ylamino)piperidine-4-carbonitrile
SMILESCC(C)NC1(C#N)CCNCC1
InChIInChI=1S/C9H17N3/c1-8(2)12-9(7-10)3-5-11-6-4-9/h8,11-12H,3-6H2,1-2H3
InChIKeyARCOUHULBONMLK-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.63
Rot. Bonds2

About 4-(propan-2-ylamino)piperidine-4-carbonitrile

4-(propan-2-ylamino)piperidine-4-carbonitrile (PubChem CID 61244098) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-(propan-2-ylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(propan-2-ylamino)piperidine-4-carbonitrile
PubChem CID61244098
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-(propan-2-ylamino)piperidine-4-carbonitrile
SMILESCC(C)NC1(C#N)CCNCC1
InChIInChI=1S/C9H17N3/c1-8(2)12-9(7-10)3-5-11-6-4-9/h8,11-12H,3-6H2,1-2H3
InChIKeyARCOUHULBONMLK-UHFFFAOYSA-N
XLogP0.63
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)piperidine-4-carbonitrile?
The IUPAC name of 4-(propan-2-ylamino)piperidine-4-carbonitrile (CID 61244098) is 4-(propan-2-ylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(propan-2-ylamino)piperidine-4-carbonitrile?
The canonical SMILES for 4-(propan-2-ylamino)piperidine-4-carbonitrile is CC(C)NC1(C#N)CCNCC1.
What is the InChIKey of 4-(propan-2-ylamino)piperidine-4-carbonitrile?
The InChIKey is ARCOUHULBONMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)12-9(7-10)3-5-11-6-4-9/h8,11-12H,3-6H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)piperidine-4-carbonitrile?
4-(propan-2-ylamino)piperidine-4-carbonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 61244098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).