1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine

C13H24N4 — CID 81344994

IUPAC1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
SMILESCC1CC(NCCc2nccn2C)CCN1C
InChIInChI=1S/C13H24N4/c1-11-10-12(5-8-16(11)2)14-6-4-13-15-7-9-17(13)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeyKSILMNOPZXETMI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.03
Rot. Bonds4

About 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine

1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine (PubChem CID 81344994) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
PubChem CID81344994
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
SMILESCC1CC(NCCc2nccn2C)CCN1C
InChIInChI=1S/C13H24N4/c1-11-10-12(5-8-16(11)2)14-6-4-13-15-7-9-17(13)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3
InChIKeyKSILMNOPZXETMI-UHFFFAOYSA-N
XLogP1.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
1,2,5-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 61212215
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 63923427
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine (CID 81344994) is 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine is CC1CC(NCCc2nccn2C)CCN1C.
What is the InChIKey of 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
The InChIKey is KSILMNOPZXETMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-10-12(5-8-16(11)2)14-6-4-13-15-7-9-17(13)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3.
What are the key properties of 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine?
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 81344994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).