1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C15H28N4 — CID 64839499

IUPAC1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1CCCn1ccnc1
InChIInChI=1S/C15H28N4/c1-13(2)14-10-17-15(3,4)11-19(14)8-5-7-18-9-6-16-12-18/h6,9,12-14,17H,5,7-8,10-11H2,1-4H3
InChIKeyMUVDCFHIQOQYLV-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.98
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64839499) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64839499
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C)CN1CCCn1ccnc1
InChIInChI=1S/C15H28N4/c1-13(2)14-10-17-15(3,4)11-19(14)8-5-7-18-9-6-16-12-18/h6,9,12-14,17H,5,7-8,10-11H2,1-4H3
InChIKeyMUVDCFHIQOQYLV-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-imidazol-1-ylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875640
1-(3-imidazol-1-ylpropyl)-2-propan-2-ylpiperazine
CID 64832153
1-(3-ethylsulfonylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 65097482
1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 103414152
1-[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]-N-methylethanamine
CID 63853813
1-(cyclopropylmethyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840273
(2S)-1,5,5-trimethyl-2-propan-2-ylpiperazine
CID 94982663
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-(3-imidazol-1-ylpropyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244413
[1-(3-imidazol-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493086
3,3-diethyl-1-(3-imidazol-1-ylpropyl)-1,4-diazepane
CID 64870345
5-cyclopropyl-1-(3-imidazol-1-ylpropyl)-2,2-dimethylpiperazine
CID 64862252

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64839499) is 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C)CN1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is MUVDCFHIQOQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(2)14-10-17-15(3,4)11-19(14)8-5-7-18-9-6-16-12-18/h6,9,12-14,17H,5,7-8,10-11H2,1-4H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 264.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64839499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).