1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine

C15H26N4 — CID 70717894

IUPAC1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine
SMILESCC(C1CCN(Cc2cnc[nH]2)CC1)N1CCCC1
InChIInChI=1S/C15H26N4/c1-13(19-6-2-3-7-19)14-4-8-18(9-5-14)11-15-10-16-12-17-15/h10,12-14H,2-9,11H2,1H3,(H,16,17)
InChIKeyWDDJJGDXEQHWAF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.11
Rot. Bonds4

About 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine

1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine (PubChem CID 70717894) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine
PubChem CID70717894
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine
SMILESCC(C1CCN(Cc2cnc[nH]2)CC1)N1CCCC1
InChIInChI=1S/C15H26N4/c1-13(19-6-2-3-7-19)14-4-8-18(9-5-14)11-15-10-16-12-17-15/h10,12-14H,2-9,11H2,1H3,(H,16,17)
InChIKeyWDDJJGDXEQHWAF-UHFFFAOYSA-N
XLogP2.11
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine (CID 70717894) is 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine is CC(C1CCN(Cc2cnc[nH]2)CC1)N1CCCC1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
The InChIKey is WDDJJGDXEQHWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13(19-6-2-3-7-19)14-4-8-18(9-5-14)11-15-10-16-12-17-15/h10,12-14H,2-9,11H2,1H3,(H,16,17).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine?
1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine has a molecular weight of 262.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-4-(1-pyrrolidin-1-ylethyl)piperidine is sourced from PubChem (CID 70717894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).