2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile

C15H25N3 — CID 54085765

IUPAC2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile
SMILESC=C(C#N)CN1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C15H25N3/c1-14(11-16)12-18-9-5-15(6-10-18)13-17-7-3-2-4-8-17/h15H,1-10,12-13H2
InChIKeyMQIMTKUAHJLLHY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.26
Rot. Bonds4

About 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile

2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile (PubChem CID 54085765) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile
PubChem CID54085765
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile
SMILESC=C(C#N)CN1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C15H25N3/c1-14(11-16)12-18-9-5-15(6-10-18)13-17-7-3-2-4-8-17/h15H,1-10,12-13H2
InChIKeyMQIMTKUAHJLLHY-UHFFFAOYSA-N
XLogP2.26
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 63007703
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]-[(1-propan-2-ylpiperidin-4-yl)amino]methylidene]propanedinitrile
CID 86632517
2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 63008625
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
CID 143571161
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63009019
N-(2-aminoethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 63010167

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile?
The IUPAC name of 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile (CID 54085765) is 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile.
What is the SMILES notation for 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile?
The canonical SMILES for 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile is C=C(C#N)CN1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile?
The InChIKey is MQIMTKUAHJLLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(11-16)12-18-9-5-15(6-10-18)13-17-7-3-2-4-8-17/h15H,1-10,12-13H2.
What are the key properties of 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile?
2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile has a molecular weight of 247.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]prop-2-enenitrile is sourced from PubChem (CID 54085765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).