N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine

C13H24N4 — CID 114204155

IUPACN-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCN(C)CC2)cn1
InChIInChI=1S/C13H24N4/c1-3-14-8-13-10-17(11-15-13)9-12-4-6-16(2)7-5-12/h10-12,14H,3-9H2,1-2H3
InChIKeyKVEDIOZFXRHWKV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.33
Rot. Bonds5

About N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine

N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 114204155) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID114204155
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CCN(C)CC2)cn1
InChIInChI=1S/C13H24N4/c1-3-14-8-13-10-17(11-15-13)9-12-4-6-16(2)7-5-12/h10-12,14H,3-9H2,1-2H3
InChIKeyKVEDIOZFXRHWKV-UHFFFAOYSA-N
XLogP1.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 114204155) is N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(CC2CCN(C)CC2)cn1.
What is the InChIKey of N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is KVEDIOZFXRHWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-14-8-13-10-17(11-15-13)9-12-4-6-16(2)7-5-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114204155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).