4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one

C13H24N4O — CID 67754658

IUPAC4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one
SMILESCN1CCC(=O)CC1.CN1CCC(N)(C#N)CC1
InChIInChI=1S/C7H13N3.C6H11NO/c1-10-4-2-7(9,6-8)3-5-10;1-7-4-2-6(8)3-5-7/h2-5,9H2,1H3;2-5H2,1H3
InChIKeyQFCPKLRJWIIWCX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.21
Rot. Bonds

About 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one

4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one (PubChem CID 67754658) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one.

Molecular Properties

Compound Name4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one
PubChem CID67754658
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one
SMILESCN1CCC(=O)CC1.CN1CCC(N)(C#N)CC1
InChIInChI=1S/C7H13N3.C6H11NO/c1-10-4-2-7(9,6-8)3-5-10;1-7-4-2-6(8)3-5-7/h2-5,9H2,1H3;2-5H2,1H3
InChIKeyQFCPKLRJWIIWCX-UHFFFAOYSA-N
XLogP0.21
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one?
The IUPAC name of 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one (CID 67754658) is 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one.
What is the SMILES notation for 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one?
The canonical SMILES for 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one is CN1CCC(=O)CC1.CN1CCC(N)(C#N)CC1.
What is the InChIKey of 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one?
The InChIKey is QFCPKLRJWIIWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C6H11NO/c1-10-4-2-7(9,6-8)3-5-10;1-7-4-2-6(8)3-5-7/h2-5,9H2,1H3;2-5H2,1H3.
What are the key properties of 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one?
4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpiperidine-4-carbonitrile;1-methylpiperidin-4-one is sourced from PubChem (CID 67754658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).