N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine

C13H24N4 — CID 79539364

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCCc1cnc[nH]1
InChIInChI=1S/C13H24N4/c1-11(8-12-4-2-3-6-16-12)15-7-5-13-9-14-10-17-13/h9-12,15-16H,2-8H2,1H3,(H,14,17)
InChIKeySMUWPHAACSRJLM-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds6

About N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79539364) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79539364
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCCc1cnc[nH]1
InChIInChI=1S/C13H24N4/c1-11(8-12-4-2-3-6-16-12)15-7-5-13-9-14-10-17-13/h9-12,15-16H,2-8H2,1H3,(H,14,17)
InChIKeySMUWPHAACSRJLM-UHFFFAOYSA-N
XLogP1.46
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-5-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 68550195
1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232163
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
1-(azepan-2-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-2-amine
CID 79559641
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 106635288
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-2-carboxamide
CID 65232472
N-(2-phenylsulfanylethyl)-1-piperidin-2-ylpropan-2-amine
CID 79537019
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine (CID 79539364) is N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is SMUWPHAACSRJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(8-12-4-2-3-6-16-12)15-7-5-13-9-14-10-17-13/h9-12,15-16H,2-8H2,1H3,(H,14,17).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79539364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).