4-amino-1-propan-2-ylpiperidine-4-carbonitrile

C9H17N3 — CID 16795008

IUPAC4-amino-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(N)(C#N)CC1
InChIInChI=1S/C9H17N3/c1-8(2)12-5-3-9(11,7-10)4-6-12/h8H,3-6,11H2,1-2H3
InChIKeyIKIKHEXRWXJMSC-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.71
Rot. Bonds1

About 4-amino-1-propan-2-ylpiperidine-4-carbonitrile

4-amino-1-propan-2-ylpiperidine-4-carbonitrile (PubChem CID 16795008) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-amino-1-propan-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-amino-1-propan-2-ylpiperidine-4-carbonitrile
PubChem CID16795008
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-amino-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(N)(C#N)CC1
InChIInChI=1S/C9H17N3/c1-8(2)12-5-3-9(11,7-10)4-6-12/h8H,3-6,11H2,1-2H3
InChIKeyIKIKHEXRWXJMSC-UHFFFAOYSA-N
XLogP0.71
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-propan-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-amino-1-propan-2-ylpiperidine-4-carbonitrile (CID 16795008) is 4-amino-1-propan-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-amino-1-propan-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-amino-1-propan-2-ylpiperidine-4-carbonitrile is CC(C)N1CCC(N)(C#N)CC1.
What is the InChIKey of 4-amino-1-propan-2-ylpiperidine-4-carbonitrile?
The InChIKey is IKIKHEXRWXJMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)12-5-3-9(11,7-10)4-6-12/h8H,3-6,11H2,1-2H3.
What are the key properties of 4-amino-1-propan-2-ylpiperidine-4-carbonitrile?
4-amino-1-propan-2-ylpiperidine-4-carbonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-propan-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 16795008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).