1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine

C13H23N5 — CID 120968218

IUPAC1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCn1ccnc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C13H23N5/c1-16-7-5-15-13(16)11-17-6-2-12(10-17)18-8-3-14-4-9-18/h5,7,12,14H,2-4,6,8-11H2,1H3
InChIKeyBKZBLGMBLXXRPN-UHFFFAOYSA-N
MW249.36 g/mol
LogP-0.10
Rot. Bonds3

About 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968218) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968218
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
SMILESCn1ccnc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C13H23N5/c1-16-7-5-15-13(16)11-17-6-2-12(10-17)18-8-3-14-4-9-18/h5,7,12,14H,2-4,6,8-11H2,1H3
InChIKeyBKZBLGMBLXXRPN-UHFFFAOYSA-N
XLogP-0.10
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(1-benzylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968227
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane
CID 63293537
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499601
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
tert-butyl (1S,6R)-3-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 97071790
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
9-methyl-2-[(1-methylimidazol-2-yl)methyl]-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 131658712
1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine
CID 120967699
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
1-[1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-yl]piperazine
CID 66197162

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine (CID 120968218) is 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine is Cn1ccnc1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is BKZBLGMBLXXRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-16-7-5-15-13(16)11-17-6-2-12(10-17)18-8-3-14-4-9-18/h5,7,12,14H,2-4,6,8-11H2,1H3.
What are the key properties of 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 249.36 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).