1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine

C15H26N4 — CID 107165724

IUPAC1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine
SMILESCN1CCC(C)(Cn2cncc2C2CCCN2)CC1
InChIInChI=1S/C15H26N4/c1-15(5-8-18(2)9-6-15)11-19-12-16-10-14(19)13-4-3-7-17-13/h10,12-13,17H,3-9,11H2,1-2H3
InChIKeyOFLRMELWRKDEHK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds3

About 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine

1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine (PubChem CID 107165724) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine
PubChem CID107165724
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine
SMILESCN1CCC(C)(Cn2cncc2C2CCCN2)CC1
InChIInChI=1S/C15H26N4/c1-15(5-8-18(2)9-6-15)11-19-12-16-10-14(19)13-4-3-7-17-13/h10,12-13,17H,3-9,11H2,1-2H3
InChIKeyOFLRMELWRKDEHK-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine?
The IUPAC name of 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine (CID 107165724) is 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine?
The canonical SMILES for 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine is CN1CCC(C)(Cn2cncc2C2CCCN2)CC1.
What is the InChIKey of 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine?
The InChIKey is OFLRMELWRKDEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(5-8-18(2)9-6-15)11-19-12-16-10-14(19)13-4-3-7-17-13/h10,12-13,17H,3-9,11H2,1-2H3.
What are the key properties of 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine?
1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine has a molecular weight of 262.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4-[(5-pyrrolidin-2-ylimidazol-1-yl)methyl]piperidine is sourced from PubChem (CID 107165724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).