N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine

C15H28N4 — CID 62592921

IUPACN-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCc1nccn1CCN1CCC(CNC(C)C)CC1
InChIInChI=1S/C15H28N4/c1-13(2)17-12-15-4-7-18(8-5-15)10-11-19-9-6-16-14(19)3/h6,9,13,15,17H,4-5,7-8,10-12H2,1-3H3
InChIKeyDIKRYXTZLBMFBP-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.90
Rot. Bonds6

About N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine

N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62592921) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID62592921
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCc1nccn1CCN1CCC(CNC(C)C)CC1
InChIInChI=1S/C15H28N4/c1-13(2)17-12-15-4-7-18(8-5-15)10-11-19-9-6-16-14(19)3/h6,9,13,15,17H,4-5,7-8,10-12H2,1-3H3
InChIKeyDIKRYXTZLBMFBP-UHFFFAOYSA-N
XLogP1.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine
CID 62592405
4-(1-chloroethyl)-1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 106838160
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxylate
CID 62026889
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol
CID 114502459
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile
CID 63338729
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
CID 107408049

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine (CID 62592921) is N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine is Cc1nccn1CCN1CCC(CNC(C)C)CC1.
What is the InChIKey of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is DIKRYXTZLBMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(2)17-12-15-4-7-18(8-5-15)10-11-19-9-6-16-14(19)3/h6,9,13,15,17H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62592921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).