1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine

C14H24N4 — CID 55169547

IUPAC1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
SMILESc1cn(CCN2CCC(C3CCCN3)CC2)cn1
InChIInChI=1S/C14H24N4/c1-2-14(16-5-1)13-3-7-17(8-4-13)10-11-18-9-6-15-12-18/h6,9,12-14,16H,1-5,7-8,10-11H2
InChIKeyNEIGWMSTVNMQMT-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine

1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine (PubChem CID 55169547) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
PubChem CID55169547
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
SMILESc1cn(CCN2CCC(C3CCCN3)CC2)cn1
InChIInChI=1S/C14H24N4/c1-2-14(16-5-1)13-3-7-17(8-4-13)10-11-18-9-6-15-12-18/h6,9,12-14,16H,1-5,7-8,10-11H2
InChIKeyNEIGWMSTVNMQMT-UHFFFAOYSA-N
XLogP1.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,7aS)-6-(3-imidazol-1-ylpropyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682820
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
1-but-3-ynyl-4-pyrrolidin-2-ylpiperidine
CID 63259701
1-decyl-4-pyrrolidin-2-ylpiperidine
CID 63404665
[1-(2-imidazol-1-ylethyl)pyrrolidin-3-yl]methanamine
CID 61462956
1-[(2-methylpyrazol-3-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255576
6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82866010
1-[1-(2-imidazol-1-ylethyl)piperidin-3-yl]ethanamine
CID 63848734
1-cyclohexyl-4-[1-(2-imidazol-1-ylethyl)azetidin-3-yl]piperazine
CID 126892681

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine (CID 55169547) is 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine is c1cn(CCN2CCC(C3CCCN3)CC2)cn1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
The InChIKey is NEIGWMSTVNMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-14(16-5-1)13-3-7-17(8-4-13)10-11-18-9-6-15-12-18/h6,9,12-14,16H,1-5,7-8,10-11H2.
What are the key properties of 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine?
1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine has a molecular weight of 248.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 55169547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).