N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine

C12H22N4 — CID 62763210

IUPACN-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cnc[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-11-2-5-16(6-3-11)7-4-13-8-12-9-14-10-15-12/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyMUSVTOTXXOECSR-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.23
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine

N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 62763210) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID62763210
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCC1CCN(CCNCc2cnc[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-11-2-5-16(6-3-11)7-4-13-8-12-9-14-10-15-12/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyMUSVTOTXXOECSR-UHFFFAOYSA-N
XLogP1.23
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 62763210) is N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine is CC1CCN(CCNCc2cnc[nH]2)CC1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is MUSVTOTXXOECSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11-2-5-16(6-3-11)7-4-13-8-12-9-14-10-15-12/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine?
N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62763210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).