N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine

C13H23ClN4 — CID 60695637

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ncc(Cl)n2C)CC1
InChIInChI=1S/C13H23ClN4/c1-3-6-18-7-4-11(5-8-18)15-10-13-16-9-12(14)17(13)2/h9,11,15H,3-8,10H2,1-2H3
InChIKeyWJPNOKHWUMJGBN-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.04
Rot. Bonds5

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine (PubChem CID 60695637) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
PubChem CID60695637
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2ncc(Cl)n2C)CC1
InChIInChI=1S/C13H23ClN4/c1-3-6-18-7-4-11(5-8-18)15-10-13-16-9-12(14)17(13)2/h9,11,15H,3-8,10H2,1-2H3
InChIKeyWJPNOKHWUMJGBN-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylcyclopentan-1-amine
CID 115653164
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
CID 54883470
N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 115682188
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 55148655
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
CID 65078294
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpiperidin-4-amine
CID 80680846
[2-[(5-chloro-1-methylimidazol-2-yl)methylamino]cyclohexyl]methanol
CID 113442476

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine (CID 60695637) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2ncc(Cl)n2C)CC1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is WJPNOKHWUMJGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-3-6-18-7-4-11(5-8-18)15-10-13-16-9-12(14)17(13)2/h9,11,15H,3-8,10H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 270.81 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 60695637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).