1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile

C10H17N3 — CID 28702855

IUPAC1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H17N3/c1-3-6-12-10(9-11)4-7-13(2)8-5-10/h3,12H,1,4-8H2,2H3
InChIKeyAEERSTFTPZZAKD-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.75
Rot. Bonds3

About 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile

1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile (PubChem CID 28702855) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
PubChem CID28702855
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(C)CC1
InChIInChI=1S/C10H17N3/c1-3-6-12-10(9-11)4-7-13(2)8-5-10/h3,12H,1,4-8H2,2H3
InChIKeyAEERSTFTPZZAKD-UHFFFAOYSA-N
XLogP0.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile (CID 28702855) is 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile is C=CCNC1(C#N)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The InChIKey is AEERSTFTPZZAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-6-12-10(9-11)4-7-13(2)8-5-10/h3,12H,1,4-8H2,2H3.
What are the key properties of 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(prop-2-enylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 28702855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).